Re: [PyMOL] hydrogen bond list for a series of files

message with subject or body 'help' to > pymol-users-requ...@lists.sourceforge.net > > You can reach the person managing the list at > pymol-users-ow...@lists.sourceforge.net > > When replying, please edit your Subject line so it is more specific > than "Re: Con

Re: [PyMOL] hydrogen bond list for a series of files

73104-5419 From: Chen, Qiang [q...@pitt.edu] Sent: Tuesday, June 16, 2020 3:23 PM To: pymol-users@lists.sourceforge.net Subject: [EXTERNAL] [PyMOL] hydrogen bond list for a series of files This script will have a memory issue. My pymol will stuck if I have more than 3 files be processed.

[PyMOL] hydrogen bond list for a series of files

n reach the person managing the list at pymol-users-ow...@lists.sourceforge.net When replying, please edit your Subject line so it is more specific than "Re: Contents of PyMOL-users digest..." Today's Topics: 1. Re: hydrogen bond list for a series of files (Mooers

Re: [PyMOL] hydrogen bond list for a series of files

db")] Note that you do not have to load the pdb files into PyMOL. If you want to analyze more than 99 files and less than 999 files, add a third question mark to the argument of glob.glob(). Best regards, Blaine Blaine Mooers, Ph.D. Associate Professor Department of Biochemistry and Molecul

Re: [PyMOL] hydrogen bond list for a series of files

uot;) for i, j in chains] for file in glob.glob("model.??.pdb")] Note that you do not have to load the pdb files into PyMOL. If you want to analyze more than 99 files and less than 999 files, add a third question mark to the argument of glob.glob(). Best regards, Blaine Blaine Mooers,

Re: [PyMOL] hydrogen bond list for a series of files

e to load the pdb files into PyMOL. If you want to analyze more than 99 files and less than 999 files, add a third question mark to the argument of glob.glob(). Best regards, Blaine Blaine Mooers, Ph.D. Associate Professor Department of Biochemistry and Molecular Biology College of Medici

Re: [PyMOL] hydrogen bond list for a series of files

"+ str(i) +", chain " +str(j) + ", write_distances_file=hb_"+ str(file) + "_" + str(i) + "_" +str( j) + "_001.txt") for i, j in chains] for file in glob.glob("model.??.pdb")] Note that you do not have to load the pdb files into PyMO

Re: [PyMOL] hydrogen bond list for a series of files

ess than 999 files, add a third question mark to the argument of glob.glob(). Best regards, Blaine Blaine Mooers, Ph.D. Associate Professor Department of Biochemistry and Molecular Biology College of Medicine University of Oklahoma Health Sciences Center S.L. Young Biomedical Research Center (BRC)

Re: [PyMOL] hydrogen bond list for a series of files

Biomedical Research Center (BRC) Rm. 466 975 NE 10th Street, BRC 466 Oklahoma City, OK 73104-5419 From: Chen, Qiang [q...@pitt.edu] Sent: Monday, June 15, 2020 2:53 PM To: pymol-users@lists.sourceforge.net Subject: [EXTERNAL] [PyMOL] hydrogen bond list for a se

[PyMOL] hydrogen bond list for a series of files

Hi, Pymol users Could you help me do this in an efficient way? Let me describe the task I try to do. I have a series of numerically ordered files, say model00.pdb model.01.pdb …… model.30.pdb All the pdb have the same protein composition, chain A, B, C, D, and E. Their relative position is di