[PyMOL] selecting atoms around a ligand in a protein structure

2012-07-23 Thread Anasuya Dighe
Hi Pymol-users, I need to select only the atoms [and NOT complete amino acid residues] which are lying in a radius of 4.5 Angstroms from the ligand from a ligand-bound protein structure. I am aware that the command: select site, br. resn FAD and chain A and resi 45 around 4.5 and not HETselect

Re: [PyMOL] selecting atoms around a ligand in a protein structure

2012-07-23 Thread Thomas Holder
Hi Anasuya, "br." is short for "byres" (by residue). So just drop that from your selection expression. select site, (resn FAD and chain A and resi 45) around 4.5 and not HET Cheers, Thomas Anasuya Dighe wrote, On 07/23/12 09:00: > Hi Pymol-users, > > I need to select only the atoms [and NO