Hello
Is the any specific code or application in Rosetta that can measure the contribution of interface residues in binding energy of ligand docking?
Thanks
Hello,
What is exactly "lbfgs_armijo" (when it passed to MinMover()). Is it gradient descent?
Thank you
Hello,
I'm trying to import a pdb file using pose_from_pdb() function. But, I'm getting the following error:
"
Hi all,
It is possible to apply options in relaxation and cartesian, only for specific chains? How? I am working with hla*02:01
In the rosetta scoring function, what energy term describes backbone-backbone hydrogen bonding between residues on different protein chains
hbond_sr_bb Backbone-backbone hbonds close in primary sequence. All hydrogen bonding terms support canonical and noncanonical types.
hbond_lr_bb Backbone-backbone hbonds distant in primary sequence.
Hello all,
I am new to rosetta trying to follow the tutorials on line. I am currently working on with the mac binaries on MacOS mojave
Seems I cannot generate a score file in the working directory.
the following input is being done within source directory
INPUT: $ROSETTA3/bin/score_jd2.default.macosclangrelease -in:file:s input_files/1qys.pdb
Error:
ERROR: Cannot open file "input_files/1qys.pdb"
ERROR:: Exit from: src/core/import_pose/import_pose.cc line: 362
I'm tryintg to sort the generated sequences from the .spec output with the following command and I use the flag to activate talaris:
~/tools/analysis/apps/gen_pepspec_pwm.py 1cka_spec.spec 3 0.1 binding-prot_score pepspec_background.binding-prot-0.1.pwm -corrections::restore_talaris_behavior
But I get error:
Hi everyone,
I am trying to use Cterm_amidation.txt. I would like to replace -OH in the C-terminal end with -NH2. However, I get the following error
Hi all,
I am trying to run the Pepsec demo and I got the following error:
ERROR: Unable to open weights/patch file. None of (./)standard.wts or (./)standard.wts.wts or /mnt/d/Softwares/Rosetta/rosetta_src_2020.08.61146_bundle/main/database/scoring/weights/standard.wts or /mnt/d/Softwares/Rosetta/rosetta_src_2020.08.61146_bundle/main/database/scoring/weights/standard.wts.wts exist
ERROR:: Exit from: src/core/scoring/ScoreFunction.cc line: 3461
Hello,
I want to do a simple scoring of some docking solutions. My flags are:
-in:file:l list.txt
-score:weights docking
-out:file:scorefile scoring/score_docking.sc
... but I get this error:
[ ERROR ]: Caught exception:
