Re: [PyMOL] finding complete residues within a RANGE OF distance cutoff
Hi Anasuya, your question is related to this one from September last year: http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg09588.html In short (example with heme as ligand): select ligand, chain A and resn HEM select shortrange, byres (polymer within 4.5 of ligand) select midrange, byres ((polymer within 9 of ligand) and not shortrange) Relevant reading: http://www.pymolwiki.org/index.php/Selection_Algebra Cheers, Thomas On 02/28/2012 08:10 PM, Anasuya Dighe wrote: Hello , I want to extract out complete amino acid residues which fall within a radius of 4 to 9 Angstroms from the ligand. What do I do in such a case, given the pdb id's, chain ID, the name of the ligand and its residue id? PS: I want to avoid, extracting out cmplete residues within a 0-4.5A first AND THEN getting residues from 4.5-9A. Is there a direct way to do this? Please let me know. - Anasuya -- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen -- Virtualization Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ ___ 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
[PyMOL] finding complete residues within a RANGE OF distance cutoff
Hello , I want to extract out complete amino acid residues which fall within a radius of 4 to 9 Angstroms from the ligand. What do I do in such a case, given the pdb id's, chain ID, the name of the ligand and its residue id? PS: I want to avoid, extracting out cmplete residues within a 0-4.5A first AND THEN getting residues from 4.5-9A. Is there a direct way to do this? Please let me know. - Anasuya -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -- Keep Your Developer Skills Current with LearnDevNow! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-d2d ___ 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
