Re: [PyMOL] selecting atoms ..

2014-02-18 Thread Sampson, Jared
Hi Sampsa - The long list of ids crashes for me as well. Instead of listing each id separately, you can use ranges to define your selections. select paska, id 36-58 select isopaska, id 36-350 If you need to use non-continuous ids, you can use Boolean logic to join the ranges: select isopaska

[PyMOL] selecting atoms ..

2014-02-18 Thread Sampsa Riikonen
Hi, I am trying to select a large number of atoms, using a pymol script. The first script file looks like this: --- select paska, id 36+37+38+39+40+41+42+43+44+45+46+47+48+49+50+51+52+53+54+55+56+57+58 The second one like this: select isopaska, id 36+37+38+39+

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

[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

[PyMOL] selecting atoms with PROview

2004-04-14 Thread Raptor User
I'm using PROView (I believe it's a PyMOL-enhanced tool) on a Windows 2000 machine, and was trying to pick some atoms in the structure window, but there is no visual indication of the selection. I tried it on a WinXP, and there were some visible pink dots showing up following my clicks. Have ot

RE: [PyMOL] selecting atoms from a mask

2002-03-06 Thread DeLano, Warren
ut it won't take much work... Comments? - Warren > -Original Message- > From: Ricardo Aparicio [mailto:apari...@if.sc.usp.br] > Sent: Wednesday, March 06, 2002 6:16 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] selecting atoms from a mask > > >

[PyMOL] selecting atoms from a mask

2002-03-06 Thread Ricardo Aparicio
Dear users, I would like to select atoms from file.pdb which are - at the same time - inside the volume of a map. In other words, I would like to make to make a selection like: select file.pdb AND map.ccp4 I would like to know what would be the correct way to do it in PyMOL. Many thanks in ad