hi all, I am writing this email with regards to the following problem. Statement of the problem:
I have around 19,200 unique PDB files. Each of them have one or more ligands in it. For each ligand, I have to extract a zone which contains complete residues within 4.5Angstroms of the ligand [ i.e. ZONE1] and then extract another zone, which has complete residues within 4.5Angstroms of ZONE1, [i.e.ZONE2] I need to store these two zones in two separate .pdb files. How can this be done? So far I have managed to extract ZONE1 for all the PDB ID's and saved their corresponding .pdb files, but, I was stuck at the next step. Please let me know how I can solve this problem. -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2dcopy2 _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
