The problem has been solved
Hi all,
I'm getting the following error when trying to run my script with pypy. I can run the script fine with python 2.7.9.
Quick question: I've noticed that some of the .params files in residue_types/metal_ions have a "formal charge entry" such as for Zn: CHARGE ZN FORMAL +2, but some other divalent cations like Co lack this entry.
Is this entry even used by Rosetta?
Could some of these entries be incorrect?
Should the formal charge entry be added if I want to use that metal ion?
Thanks!
Is there a way to restrict the RAM memory usage of ddg_monomer?
Say I want to restrict ddg_monomer's memory usage to 512 MB. Is it possible?
Rosetta's end-user documentation is very poor. I think that if I studied the source code of some applications, I could understand better how they work. However, studying the source code of a large project such as Rosetta requires a lot of help. I'm guessing that the Rosetta's developer resources (listed here: https://www.rosettacommons.org/dev) would help, but that requires a password (ex., https://wiki.rosettacommons.org/). How do you get this password?
Dear Rosetta Users,
I downloaded the most recent release rosetta2014.52 and compiled the source code on a Linux 64 bit machine with the command: ./scons.py -j4 mode=release bin. The compilation seemed successful as I saw the "scons: done building targets" message. But the bin/ was empty though the build/src contains newly generated files. Looking at the log file, I found these lines:
I have a .pdb file containing two chains. I do a mutation on one residue on one of the chains, using ddg_monomer. If I set the flag "-ddg::local_opt_only true" in the ddg_monomer run, and if some residues on the OTHER chain (the one I didn't mutate) are very close to the mutated chain (less than 8 angstroms), does that mean that the residues on the other chain are optimized too?
Thanks.
I ran relax on a structure downloaded from pdb (after I cleaned it using PyRosetta's cleanATOM()), following the instructions here: https://www.rosettacommons.org/docs/latest/preparing-structures.html. The exact command I used is this:
Hi there,
I've just installed the last rosetta bundle (20014.35) and have experienced some problems with the "-j" option of the fragment_picker. The error message is as follows:
Hi there,
Will rosetta default and mpi compilations coexists in the same directory tree?
I usually test flags with rosetta default to check things before launch the mpi process. However, I've experienced some weird behaviors after installing the last version 2014.35. Looks like something stupid but it's worth to check.
Best,
Fred