Re: [PyMOL] Can PyMOL run predicted PDB file from Phyre2?

2015-06-09 Thread Ndonwi, Maze
Hi McGill, Thank you very much! This is very helpful as I get started! Maze From: caldw...@gmail.com [mailto:caldw...@gmail.com] On Behalf Of Shane Caldwell Sent: Tuesday, June 09, 2015 12:18 PM To: Ndonwi, Maze Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] Can PyMOL run predicted PDB

Re: [PyMOL] Can PyMOL run predicted PDB file from Phyre2?

2015-06-09 Thread Shane Caldwell
Hi Maze, You should be able to download the Phyre2 output and load it into pymol without issue. Phyre outputs pdb-format files that you can download and open just like from the PDB itself. As I recall, it's not intuitively obvious which link leads you to the .pdb file download from Phyre2, but loo

[PyMOL] Can PyMOL run predicted PDB file from Phyre2?

2015-06-09 Thread Ndonwi, Maze
Hi, May be someone else has done this before. I have a predicted PDB file from Phyre2 (actual PDB isn't available) for this protein I'm studying. Can Pymol run this prediction PDB file? Thank you for your help. I appreciate it greatly. Maze The materials in t

Re: [PyMOL] A strange mistake when working with files. KeyError: 'atomName' Selector-Error: Invalid selection name myFile

2015-06-09 Thread Schubert, Carsten [JRDUS]
Alsa, it looks as if the error does not originate from within the script itself, but it caused in the chempy module, which reads the sdf files. It looks to me as if one of your SDF files is either corrupted or PyMol does not like it. Since you are logging, which file is read, why don’t you load

[PyMOL] A strange mistake when working with files. KeyError: 'atomName' Selector-Error: Invalid selection name myFile

2015-06-09 Thread AE
Hello pyMol Users, I have recently started working with pyMol. Here is my script, which one of the users (I am not sure whether it is right or not to write the name) has helped me to fix: import os from pymol import cmd cmd.reinitialize() myDir = '/Users/User/myFolder' #print(myDir) for filenam