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Rosetta 3 - General
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FARFAR and RNA_Tools: problem executing the command helix_preassemble_setup.py by obdulia » Wed, 2018-04-18 00:45 |
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1,154 |
by obdulia Wed, 2018-04-18 00:45 |
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[dev] examples for implementing setup_for_packing, prepare_rotamers_for_packing? by ipetrik_ambry » Mon, 2017-10-30 17:03 |
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1,148 |
by ipetrik_ambry Mon, 2017-10-30 17:03 |
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Cterm_amidation by G Mustafa » Wed, 2021-11-03 08:52 |
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1,147 |
by gezmi Sat, 2021-11-06 15:26 |
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GeneralizedKIC disulfide closure by Ken » Tue, 2022-08-16 13:32 |
2 |
1,139 |
by Ken Wed, 2022-08-17 08:04 |
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Remodel and the depracated EMPTY NC by matteoferla » Fri, 2021-02-26 07:12 |
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1,134 |
by matteoferla Fri, 2021-02-26 07:12 |
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Structural Similarity by Soler » Mon, 2021-11-29 22:02 |
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1,132 |
by rmoretti Tue, 2021-11-30 07:41 |
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How to use the <CavityVolume> filter in the released version of Rosetta by BioPython » Sun, 2019-05-12 20:07 |
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1,131 |
by BioPython Sun, 2019-05-12 20:07 |
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Output and Input Tutorial by jgustat » Fri, 2022-07-01 13:07 |
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1,123 |
by jgustat Fri, 2022-07-01 13:26 |
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crashed when loading RDC data by yangshen12 » Fri, 2018-10-26 12:34 |
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1,117 |
by yangshen12 Fri, 2018-10-26 12:34 |
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calcium metal nomenclature: Rosetta_cm confusing HETATM CA (calcium) with ATOM CA (alpha-carbon) by rlwoltz » Tue, 2021-08-03 23:26 |
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1,116 |
by rlwoltz Tue, 2021-08-03 23:26 |
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ERROR: Your compiler does not have full support for C++11 regex, and therefore can't support RegEx_based_CDR_Detector/antibody g by yliang20 » Mon, 2022-08-08 16:59 |
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1,116 |
by rmoretti Tue, 2022-08-09 06:52 |
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Questions about alanine scanning in Rosetta by LTJ » Mon, 2020-07-06 14:13 |
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1,098 |
by LTJ Mon, 2020-07-06 14:13 |
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using full atom constraint in docking by rohi » Thu, 2020-10-15 10:28 |
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1,095 |
by rohi Thu, 2020-10-15 10:28 |
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How to define the surface (???.surf) for surface_docking? by Anpu » Thu, 2018-09-27 07:34 |
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1,094 |
by Anpu Thu, 2018-09-27 23:36 |
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How to provide multiple templates for Robetta with RosettaCM option? by lanselibai » Wed, 2021-06-23 14:06 |
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1,089 |
by lanselibai Wed, 2021-06-23 14:53 |
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genkic mover produced an unwanted HN - CA bond by cttm4a1 » Mon, 2022-06-20 14:25 |
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1,087 |
by cttm4a1 Mon, 2022-06-20 16:58 |
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Renumbering PDB by jgustat » Wed, 2022-07-27 13:37 |
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1,084 |
by jgustat Thu, 2022-07-28 10:00 |
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De Novo backbone generation vs Rosetta Match for enzdes and ligand binding. by csvajda » Thu, 2022-06-30 09:55 |
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1,078 |
by csvajda Thu, 2022-06-30 16:26 |
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Denovo density excess map input and segmentation by ahmadkhalifa » Mon, 2018-04-30 07:28 |
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1,077 |
by ahmadkhalifa Fri, 2018-05-04 07:50 |
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Error on rna_denovo_setup.py by zahra_AZ » Mon, 2020-11-09 02:23 |
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1,074 |
by zahra_AZ Mon, 2020-11-09 02:23 |
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restrict PackRotamersMover by pmit » Thu, 2018-05-03 01:48 |
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1,073 |
by pmit Thu, 2018-05-03 01:48 |
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score.sc only shows total_score and with all zeros by johnnytam100 » Mon, 2022-06-06 20:04 |
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1,066 |
by johnnytam100 Tue, 2022-06-07 19:18 |
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Different dG_separated from RAbD and InterfaceAnalyzer by brubin » Mon, 2022-12-19 13:58 |
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1,065 |
by brubin Tue, 2022-12-20 13:26 |
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pose.energies().total_enegies().show_nonzero() changes after packer is applied by Liviu Copoiu » Mon, 2022-11-07 16:51 |
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1,064 |
by Liviu Copoiu Tue, 2022-11-08 10:43 |
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Side-chain grafting in fixed scaffold by Kazu » Wed, 2020-05-20 08:45 |
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1,064 |
by Kazu Wed, 2020-05-20 11:58 |
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SARS-CoV-2: call for compound predictions against protease by matteoferla » Sun, 2020-03-22 05:29 |
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1,058 |
by matteoferla Sun, 2020-03-22 05:29 |
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RosettaCM: help to generate similar models as those from Robetta Server by haom » Wed, 2020-09-09 09:19 |
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1,054 |
by haom Wed, 2020-09-09 09:19 |
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Calculating SAP score using RosettaScripts by varunmc99 » Fri, 2023-05-12 11:03 |
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1,051 |
by varunmc99 Fri, 2023-05-12 11:49 |
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MakeRotLib by yinasun » Fri, 2019-07-26 02:17 |
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1,037 |
by yinasun Fri, 2019-07-26 02:17 |
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Docking mover by Soler » Sat, 2022-02-12 20:48 |
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1,022 |
by jadolfbr Sat, 2022-02-12 23:16 |
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Using NCAA by ate » Sat, 2021-05-01 02:52 |
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1,019 |
by ate Sat, 2021-05-01 02:52 |
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Rosetta and design of ligand binding site by rohi » Mon, 2021-03-15 06:00 |
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1,012 |
by rohi Mon, 2021-03-15 06:31 |
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ligand docking error by YuFei » Wed, 2020-04-22 17:27 |
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1,007 |
by YuFei Wed, 2020-04-22 17:27 |
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Residue outside res_map range by amcallister » Fri, 2022-04-22 11:26 |
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1,006 |
by aneeqh Fri, 2022-09-02 13:36 |
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connecting pdb files by Hyun » Wed, 2021-11-17 22:32 |
1 |
1,003 |
by ajasja Thu, 2021-11-18 00:33 |
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total_score changes when decomposing bb hbonds ref2015 by Liviu Copoiu » Mon, 2022-10-31 15:40 |
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1,002 |
by Liviu Copoiu Mon, 2022-10-31 16:03 |
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Structure refinement for helical assembles using Rosetta by xiaoyanzi » Thu, 2020-06-18 00:34 |
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1,002 |
by xiaoyanzi Thu, 2020-06-18 00:36 |
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Unrecognized atom parameter with denovo_density by kalabharath » Mon, 2020-06-29 06:59 |
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1,002 |
by kalabharath Mon, 2020-06-29 06:59 |
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RuntimeError: CUDA out of memory. by ravi.thakkar » Tue, 2023-03-07 00:27 |
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1,000 |
by rmoretti Tue, 2023-03-07 08:18 |
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Error with filter in rosseta_scripts by Osmany Guirola » Mon, 2020-05-11 04:52 |
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998 |
by Osmany Guirola Mon, 2020-05-11 04:52 |
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Rosetta for design of artifical metalloenzyme by Delfosse57 » Thu, 2022-05-19 21:47 |
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991 |
by matteoferla Fri, 2022-06-03 01:09 |
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how to perform model quality assessment of rosetta generated models? by Danielsebas » Tue, 2019-09-24 05:03 |
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990 |
by Danielsebas Tue, 2019-09-24 05:03 |
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Why are 'fa_rep' and 'fa_intra_rep' higher in 'ref2015_soft.wts' than in 'ref2015.wts'? by JW_24 » Tue, 2023-01-24 04:40 |
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988 |
by JW_24 Tue, 2023-01-24 14:52 |
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Searching density map using real space correlation by ahmadkhalifa » Fri, 2018-12-28 00:28 |
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982 |
by ahmadkhalifa Fri, 2018-12-28 00:28 |
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ab initio structure modeling by pci112 » Mon, 2021-04-12 08:07 |
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967 |
by pci112 Mon, 2021-04-12 08:12 |
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Clustering error - Help, please by karolcia1010 » Wed, 2020-06-17 11:19 |
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965 |
by karolcia1010 Wed, 2020-06-17 11:19 |
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Error: Element 'RandomizeBBByRamaPrePro': This element is not expected. by nferruz » Fri, 2020-08-28 06:04 |
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961 |
by nferruz Fri, 2020-08-28 06:05 |
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Comparatively modelled chains are far apart in final structure while the template pdb has all chains in a close-knit complex by Sunidhi » Sun, 2020-11-01 11:00 |
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961 |
by Sunidhi Sun, 2020-11-01 11:01 |
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Inconsistent scoring by "aa_composition" term by chenna » Thu, 2022-02-24 03:00 |
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960 |
by vmulligan Thu, 2022-03-03 18:48 |
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How RosettaCM can perform part of C terminal domain (CTD) structure prediction without proper template structures (coordinates) by haom » Tue, 2020-09-01 13:21 |
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955 |
by haom Tue, 2020-09-01 18:50 |
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Adding NCAA with Metal Ion by MustafaBughio » Mon, 2022-11-28 15:07 |
1 |
953 |
by JasonIsaac Mon, 2022-12-05 18:41 |
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Does it make sense to perform Docking on a complex? by chrisHKL » Mon, 2020-02-17 09:12 |
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951 |
by chrisHKL Mon, 2020-02-17 09:12 |
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rna_denovo secstruct_general function by rvandamme » Mon, 2021-02-01 13:39 |
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950 |
by rvandamme Mon, 2021-02-01 13:39 |
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I made a params file generation webpage by matteoferla » Wed, 2020-07-22 03:08 |
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947 |
by matteoferla Wed, 2020-07-22 03:08 |
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BUG REPORT: MySql column protocol.protocol_id must have the AUTO_INCREMENT flag set by pedro.guillem » Wed, 2020-05-13 18:31 |
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946 |
by pedro.guillem Wed, 2020-06-24 04:42 |
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Applying dihedral constraints to TRP dipeptide minimization. ACE/NME termni. by reoverstreet » Mon, 2022-07-11 14:39 |
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941 |
by matteoferla Wed, 2022-07-20 10:33 |
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Using NCAA by ate » Sat, 2021-05-01 02:22 |
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934 |
by ate Sat, 2021-05-01 02:22 |
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Compile C++ Rosetta to Pyrosetta ERROR by michelleqyh » Fri, 2020-08-21 09:00 |
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933 |
by michelleqyh Fri, 2020-08-21 09:00 |
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Finding affinity-reducing mutants towards a ligand in Ligand-based interface design protocol by adityapadhi » Wed, 2020-06-24 01:29 |
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925 |
by adityapadhi Wed, 2020-06-24 01:29 |
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Should all input structures to energy_based_clustering have an output pdb file? by Brian Wiley » Mon, 2023-01-30 20:42 |
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924 |
by Brian Wiley Tue, 2023-01-31 19:08 |
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PDB weird to PDB rosetta friendly by jpfuenzalidawx » Fri, 2022-09-02 04:43 |
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920 |
by rmoretti Tue, 2022-09-06 08:13 |
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Problem with 'AddEncounterConstraintMover' by mb0261 » Tue, 2022-06-28 10:00 |
1 |
908 |
by rmoretti Tue, 2022-06-28 11:06 |
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Meaning of Metalbinding_constraint by Corvin » Wed, 2021-05-19 07:54 |
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905 |
by Corvin Wed, 2021-05-19 07:54 |
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Output "per-residue" energy score to database by pedro.guillem » Thu, 2020-05-14 04:22 |
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904 |
by pedro.guillem Thu, 2020-05-14 04:22 |
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clean_pdb_keep_ligand.py IndexError by to-qinbin@163.com » Sat, 2022-09-10 04:04 |
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903 |
by rmoretti Mon, 2022-09-12 06:58 |
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How to create a native file for Protein-Protein docking by Kotimedidhi » Mon, 2020-06-22 08:10 |
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892 |
by Kotimedidhi Mon, 2020-06-22 08:10 |
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InterfaceDdGMover and ResfileReader by asaf.farhi » Wed, 2022-04-13 15:05 |
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877 |
by asaf.farhi Wed, 2022-04-13 15:05 |
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How to export high energy state pdb out of backrub? by whiteqiu » Mon, 2021-03-01 18:32 |
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872 |
by whiteqiu Mon, 2021-03-01 18:32 |
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Make fragments by jeanramos » Mon, 2020-07-13 00:56 |
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870 |
by jeanramos Mon, 2020-07-13 00:56 |
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Quick mysql output question by pedro.guillem » Thu, 2020-07-23 03:45 |
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858 |
by pedro.guillem Thu, 2020-07-23 03:45 |
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How can I use InterfaceScore terms in docking as GenericMonteCarlo criterion by wwwmrzkwww » Sun, 2021-08-15 00:19 |
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855 |
by wwwmrzkwww Sun, 2021-08-15 00:19 |
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Enzyme design gets 0 hit by cryosky » Sun, 2021-09-26 13:24 |
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852 |
by cryosky Sun, 2021-09-26 13:24 |
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Converting all residues to poly-Gly/Ala by jtpi6174 » Tue, 2023-05-09 14:14 |
2 |
845 |
by jtpi6174 Tue, 2023-05-09 15:51 |
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Truncating a protein using rosetta by Wexter300 » Mon, 2023-02-13 12:05 |
2 |
841 |
by Wexter300 Mon, 2023-02-13 13:04 |
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ShapeSimilarity, ElectrostaticSimilarity (RosettaSurf) by Ken » Mon, 2022-05-23 07:16 |
1 |
840 |
by ajasja Mon, 2022-05-23 07:19 |
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Using specific rotamers by sahn97 » Fri, 2022-08-26 13:45 |
1 |
828 |
by rmoretti Fri, 2022-08-26 14:51 |
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mol2genparams.py script dependencies by dhirajks » Wed, 2022-06-08 16:46 |
1 |
823 |
by matteoferla Thu, 2022-06-09 14:41 |
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Generate template parameter file for a polymer by anarob » Fri, 2022-06-10 11:05 |
1 |
819 |
by matteoferla Fri, 2022-06-17 10:38 |
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Segmentation fault on antibody structure prediction by dkesar » Fri, 2021-06-04 19:09 |
0 |
816 |
by dkesar Fri, 2021-06-04 19:09 |
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Multiple Relax runnings by mb0261 » Sat, 2022-08-27 05:42 |
1 |
815 |
by rmoretti Tue, 2022-09-06 08:22 |
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RMSD filter by Soler » Sat, 2022-01-15 22:09 |
0 |
813 |
by Soler Sat, 2022-01-15 22:09 |
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Calculating shape complementarity of ligand and protein by varunmc99 » Tue, 2023-01-17 11:29 |
1 |
812 |
by rmoretti Mon, 2023-02-06 14:42 |
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SecundaryStructure Filter by Soler » Sat, 2021-11-20 23:41 |
0 |
812 |
by Soler Sat, 2021-11-20 23:41 |
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Unrecognized D-Leu name / C-terminal ACE by almeida85 » Thu, 2022-08-11 07:43 |
1 |
806 |
by almeida85 Fri, 2022-08-12 05:56 |
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Global ligand docking with Rosetta script and PyRosetta by tisozaki » Tue, 2021-12-14 17:16 |
0 |
804 |
by tisozaki Tue, 2021-12-14 17:16 |
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enzyme design and scoring function by rohi » Fri, 2021-06-25 10:29 |
0 |
799 |
by rohi Fri, 2021-06-25 10:29 |
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Flex-pep-docking (ab-initio mode) by ate » Wed, 2021-06-16 19:19 |
0 |
795 |
by ate Wed, 2021-06-16 19:19 |
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setting timeout option in MPI run by syntekabio2019 » Mon, 2024-02-26 01:09 |
5 |
793 |
by rmoretti Wed, 2024-02-28 09:20 |
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ERROR: Assertion `build_sets_[ build_set_id ].restype().has( "1HA" )` failed. ERROR:: Exit from: src/protocols/match/upstream/Pr by alove1 » Sat, 2023-10-28 17:19 |
3 |
790 |
by alove1 Mon, 2023-10-30 13:18 |
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Obtain score during prediction by CameronJA » Mon, 2021-06-14 16:12 |
0 |
783 |
by CameronJA Mon, 2021-06-14 16:12 |
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Sequence symmetry during FastDesign for repeat protein design by cttm4a1 » Tue, 2022-09-06 21:02 |
1 |
783 |
by rmoretti Wed, 2022-09-07 09:19 |
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Obtaining all PDB IDs containing similar binding sites for a specific ligand by Antonia » Wed, 2021-06-16 12:30 |
0 |
779 |
by Antonia Wed, 2021-06-16 12:30 |
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core.pack.rotamer_set.RotamerSet_: (0) Using simple Rotamer generation logic for pdb_NAP by to-qinbin@163.com » Wed, 2022-09-14 06:06 |
1 |
779 |
by rmoretti Wed, 2022-09-14 09:14 |
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protein binder interface design error by guowuchen » Thu, 2022-06-23 04:43 |
0 |
774 |
by guowuchen Thu, 2022-06-23 04:43 |
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Structure Prediction of protein mutant using relax by Delfosse57 » Tue, 2023-01-10 13:26 |
1 |
763 |
by JW_24 Tue, 2023-01-24 04:55 |
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Error when trying to use xml script to design PDB by Wexter300 » Fri, 2023-02-24 13:29 |
1 |
760 |
by rmoretti Fri, 2023-02-24 13:58 |
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mpi_MSD for antibody design by hanzhiz » Thu, 2021-12-16 09:32 |
0 |
749 |
by hanzhiz Thu, 2021-12-16 09:32 |
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Help with file in article Kemp elimination catalysts by computational enzyme design by Wenithor » Sat, 2021-10-09 07:23 |
0 |
738 |
by Wenithor Sat, 2021-10-09 07:23 |
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Method for adding residues into PDB's w/ RosettaScripts. by Wexter300 » Wed, 2023-03-15 13:07 |
1 |
725 |
by rmoretti Thu, 2023-03-16 11:46 |
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Error when using rna_denovo in TACC stampede2 HPC by lsong2 » Thu, 2021-11-18 10:31 |
0 |
723 |
by lsong2 Thu, 2021-11-18 10:31 |