Re: [PyMOL] Problems with FindSeq.py script

2012-01-16 Thread James Starlight
Troels, Commonly I run pymol scripts by means of run script.py or @ script.py from PyMol shell! then I use script_command ( e.g findSeq ) and further script syntax for my tasks e.g findSeq s.g 1f88 works perfect but the above command for the ensemmble of pdbs give me error. James

Re: [PyMOL] Problems with FindSeq.py script

2012-01-16 Thread Troels Emtekær Linnet
Dear James. That is because there are different ways, how to get functions available in Python. Either you can import a script.py or you can execute it. If you execute the script. In Python, you would do: *execfile(script.py)* In PyMOL, a shortcut to this is: *run script.py OR

Re: [PyMOL] Problems with FindSeq.py script

2012-01-16 Thread James Starlight
Troels, thanks again for so detailed explanation Firstly I've tried to use IMPORT SCRIPT and all of the above commands works now :) Now I'd like to understand the main sytnax of the findseq script in more detailes. E.g I have the set of homologues protein from wich I'd like to find triplet

Re: [PyMOL] Problems with FindSeq.py script

2012-01-14 Thread Troels Emtekær Linnet
Hi James. I moved the script under the git repository yesterday, and took care of the bug. The script look a little different now. So try the new one again from: http://www.pymolwiki.org/index.php/findseqhttp://www.pymolwiki.org/index.php/Findseq The follow the guide on the page. # Find the

[PyMOL] Problems with FindSeq.py script

2012-01-13 Thread James Starlight
Dear PyMol Users, I need to search defined sequence motifs in my structures. For that purpose I've used http://www.pymolwiki.org/index.php/FindSeq script but when I've try to use it I've got error PyMOLfindSeq SYG, 1a3h Error: selName was not a string. There was an error with a parameter.

Re: [PyMOL] Problems with FindSeq.py script

2012-01-13 Thread Jason Vertrees
James, First, there's a bug in the script. It's not dealing with selName correctly. To get around this just provide something to selName: findSeq S.G, 1a3h, selName=found_seq If findSeq finds the sequence, it'll return the selected atoms in found_seq. Next, SYG is not in that protein. If you

Re: [PyMOL] Problems with FindSeq.py script

2012-01-13 Thread James Starlight
Jason, hello! Also I've found possible fix for that bug by lpacing this line in the 47 line of the script if type(selName)!=(types.StringType) and type(selName)!=(types.NoneType): By the way I've found another bug when I've tried to find the same motifs in the several homolugues structures.