How do I implement more CPU cores in the execution of FlexPepDock?
Hello all. I am a university student currently doing my thesis, and I really don't know if this topic has been adressed before, but I couldn't find anything like my question.
The problem hasn't been solved
Hello all. I am a university student currently doing my thesis, and I really don't know if this topic has been adressed before, but I couldn't find anything like my question.
Dear Administrators,
My email domain @uclouvain.be is not recognised as academic. How can I solve this ?
Thanks in advance,
Cheers
Nicolas
[START_CRASH_REPORT]
[ROSETTA_VERSION]: 2021.16+release.8ee4f02
[COMMIT_DATE]: 2021-04-20T20:52:25.363712
[APPLICATION]: /pub/erikps/Rosetta3.14/main/source//bin/cartesian_ddg.static.linuxgccrelease
[MODE]: Release
[EXTRAS]: default
[OS]: GNU/Linux
[COMPILER]: GCC version "4.8.5 20150623 (Red Hat 4.8.5-39)"
[STDLIB]: libstdc++ version 20150623
[START_OPTIONS]Hello everyone!
I am trying to redesign the protein-DNA interface to introduce novel interactions between a protein and a DNA molecule using the RosettaDNA application suite.
I am getting this error after running the program. Can you help to fix this?
Hi,
I performed a protein-protein docking within rosetta by using a single receptor structure and several conformations of the same ligand protein. Now I am trying to cluster the results (aprox 1000 structures) using the cluster application included in rosetta by running:
cluster.linuxgccrelease -in:file:l pdblist -in::file::fullatom
Dear Administrators,
My GitHub email (mario@cib.csic.es) is not recognized as academic email. Please, could you add that email address to your records?
Thank very much in advance for your reply.
I am an academic user and applied for a new account on ROSIE. There was no mention of restrictions on email address, e.g. that an academic email had to be used.
I input my preferred external gmail account, ethanwilltaylor@gmail.com, but have not received verification emails or error messages saying that address is invalid.
Can you clarify this or otherwise validate this email address?
Thanks for your help,
EWT
Hi all
Recently I'm now doing large scale protein ligand docking using rosetta
while I'm doing , I got the following warning not error
Just wanted to confirm there is no semi-official script or protocol for DMS using Rosetta and ddg cartesian?
Seems like an easy enough thing to script using existing methods and protocols....but ideally, I would like a strategy that avoided generating 19 WT models per-site, per-iteration (since just one set would suffice for all DDGs).
That would same me a lot of comput time. For a 500aa protein with 10 iterations per DDG estimate, that would save me from building (18x500x10=90,000 superfulous models.