Re: [PyMOL] Changing ligand conformation

2011-12-13 Thread Troels Emtekær Linnet
+64 3 4797293 > Fax / Waeawhakaahua +64 3 4797034 > > > -Original Message- > From: Mark Bostock [mailto:mjb...@cam.ac.uk] > Sent: Saturday, 10 December 2011 10:26 a.m. > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Changing ligand conformatio

Re: [PyMOL] Changing ligand conformation

2011-12-12 Thread Joel Tyndall
/ Waeawhakaahua +64 3 4797034 -Original Message- From: Mark Bostock [mailto:mjb...@cam.ac.uk] Sent: Saturday, 10 December 2011 10:26 a.m. To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Changing ligand conformation I have a pdb file of a protein which contains a lysine residue bound to

Re: [PyMOL] Changing ligand conformation

2011-12-09 Thread Jason Vertrees
Hi Mark, It sounds like you have a couple options. First, you could use PyMOL's builder (http://www.pymolwiki.org/index.php/Builder; the page needs updating) to do the trans->cis conversion yourself, by hand. Second, if you already have the cis structure coordinates, you could issue the "update" c

[PyMOL] Changing ligand conformation

2011-12-09 Thread Mark Bostock
I have a pdb file of a protein which contains a lysine residue bound to a ligand. The ligand has two conformations due to a cis/trans isomerisation. I have created a pdb file (also .mol and .mol2) of lysine attached to the cis form and would like to replace the lysine-ligand(trans) form which i