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 different in each file. I would like to check the hydrogen bonds between, say, chain A and B. Thanks to Prof. Robert L. Campbell, I can list the hydrogen bonds in one pdb and print the list as the follows list_hb chain A, chain B, write_distances_file=hb_A_B_01.txt How can I process the 30 files in an efficient way? what if I have 300 pdb files? Shell script, python, or anything else? Thanks! Charles Chen _______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
