Thanks to the previous responders! In addition, versions 0.82 and beyond support a more intuitive distance selection phrase:
"... within ... of ..." For example: load lig.pdb load prot.pdb select site,prot within 6 of lig show surface, site Note that if the ligand and protein are in the same object and the ligand isn't composed of PDB HETATM's, then you may need to specifically exclude their presence from the surface calculation: flag ignore,lig rebuild Cheers, Warren > -----Original Message----- > From: aaron.b.mil...@gsk.com [mailto:aaron.b.mil...@gsk.com] > Sent: Friday, October 11, 2002 12:36 PM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Need help with selections > > > Hello, > > I am somewhat new to PYMOL and was trying to create a > selection of atoms. > What I need to do is select all atoms of a protein that are within 5 > angstroms of an inhibitor (the protein and inhibitor are separate > molecules). I cannot figure out how to do this from the > examples in the > manual. I will want to use this selection to make a surface of the > selection afterward. > > Thanks, > > Aaron > > > Aaron B. Miller > Computational Chemist > GlaxoSmithKline R & D > Five Moore Drive, North M1407 > RTP, NC 27709-3398 > (919) 483-6069 Fax (919) 315-0430 > aaron.b.mil...@gsk.com > > > > > ------------------------------------------------------- > This sf.net email is sponsored by:ThinkGeek > Welcome to geek heaven. > http://thinkgeek.com/sf > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users >
