The problem hasn't been solved
Hi every one
I have encountered with an error "Your GitHub account does not have verified academic email address" while my email address damain is @mazums.ac.ir which is for Mazandaran university of medical sciences in Irna (https://en.mazums.ac.ir/). would you please help me.
cheers
I am using the shape complementarity filter to evaluate noncanonical amino acids. For several noncanonicals that contain Chlorine and Fluorine atoms the sc value is -1. I suspect this is due to the code for sc not being compatible with atom types that are not C,N,O,S,and P. Does anyone have a solution or suggestion on how to get sc updated to work with all NCAA's?
My academic address (s.shankar@ncl.res.in) cannot be verified during login to rosie
My institution is CSIR-National Chemical laboratory-india
My academic domain address is- ncl.res.in
please fix this.
Hello,
I read the rosetta tutorial for working with densities, available here:
[START_BACKTRACE]: RAW_LIBC
/mnt/cidstore1/software/el7/rosetta/haswell/gcc62/3.13/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/default/libutility.so(backtrace_string(int)+0x3a) [0x7f2e28eff88a]
/mnt/cidstore1/software/el7/rosetta/haswell/gcc62/3.13/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x51) [0x7f2e28efee11]
Hi,
Hi,
I have been trying to perform Ligand Docking with the ROSETTA software. I describe what I have done:
1. First, I have the ligands in sdf/mol2 format one per file. I add hydrogens to these and create the params files with the "molfile_to_params.py" script.
2. Second, I clean the protein (no ligands or cofactors) and add H to the protein.
3. Third, I concatenate the protein with each ligand in a different file for each ligand (the ligand has chain identifier X, the protein A).
Hi,
I want to perform LigandDocking with ROSIE, but I have many ligands and it is not possible to run each one from the webserver. Is there a way to run ROSIE from the terminal/command line?
Thank you
I am facing SEGMENTATION FAULT error when I try to generate 10000 structures in Rosetta Homology modelling. I am running this through the Batch script. For example, when I give -out:nstruct 10000 in the flag file, it generates only 48 structures after that the job gets terminated. I have attached my batch script, flag file, Error file and the Rosettta_crash.log file here. Please, can anyone help me to find the solution to this problem?
Flag File
Hi Rosetta Team!
I read from the scoring tutorial this line
A rule of thumb: -1 to -3 REU per residue is typical while scoring a refined structure with ref2015 score function.
May I know if it is possible to directly call this per residue total score during scoring?
Thank you.