[PyMOL] pymol autodock plugin

2009-08-13 Thread Jed Goldstone
The autodock plugin written by Daniel Seeliger ceased to function (load) when I upgraded to Pymol 1.2r1. Although it is not compatible directly with Autodock 4, it did have the useful functionality of presenting an autodock 'box' that was readily tweakable, so that the parameters could be expo

Re: [PyMOL] pymol autodock plugin

2009-08-13 Thread Warren DeLano
Jed, With the 1.2 release of PyMOL, we have completely switched over to Numpy. So the first thing to try is to replace: from Numeric import * # with from numpy import * Cheers, Warren > -Original Message- > From: Jed Goldstone [mailto:jedg...@mit.edu] > Sent: Thursday, August 13, 200

[PyMOL] Extracting Amino Acid Sequence from PDB File

2009-08-13 Thread Buz Barstow
Hi All, Does anyone know of a program that can extract the amino sequence of a protein from a PDB file and output it as a FASTA file? Thanks! and all the best, --Buz -- Let Crystal Reports handle the reporting - Fre

Re: [PyMOL] Extracting Amino Acid Sequence from PDB File

2009-08-13 Thread Warren DeLano
Buz, # Yep, PyMOL 1.2: load $TUT/1hpv.pdb save 1hpv.fasta # or by selection save 1hpv_A.fasta, chain A # etc. Cheers Warren > -Original Message- > From: Buz Barstow [mailto:b...@mac.com] > Sent: Thursday, August 13, 2009 2:39 PM > To: pymol-users@lists.sourceforge.net; ccp...@jiscm

Re: [PyMOL] Extracting Amino Acid Sequence from PDB File

2009-08-13 Thread Joel Tyndall
You can also download the sequence directly from the pdb J _ Joel Tyndall, PhD Senior Lecturer in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand http://www.researcherid.com/rid/C-2803-200

Re: [PyMOL] PyMOL-users Digest, Vol 39, Issue 4

2009-08-13 Thread Sean Law
I was wondering if AxPyMOL could handle a .pse file that loaded two pdb structures in powerpoint. I've simply created a .pse file by fetching 2bmv and 2hhb. Then I loaded this onto my PC laptop while in powerpoint. Other slides in the same presentation with a single pdb file works fine. How