[PyMOL] cmd.do(png filename) error

2012-01-13 Thread tusi
Dear All, After updating to Ubuntu natty (11.04), cmd.do('png filename') does not work. When I execute the following commands in pymol I get the wanted png picture: load tmp.pdb tmp png tmp.png but, if I execute the following script, the png file does not arise: from pymol import cmd

Re: [PyMOL] Contact Maps Visualizer 1.0

2012-01-13 Thread Troels Emtekær Linnet
Venkatramanan Krishnamani. How about posting it on http://www.pymolwiki.org/index.php/Category:Plugins Then it will newer get lost. :-) Best Troels Troels Emtekær Linnet Slotsvej 2 4300 Holbæk Mobil: +45 60210234 2012/1/13 Venkatramanan Krishnamani ve...@andrew.cmu.edu hi everyone, I

Re: [PyMOL] Rebuild/install of pymol after svn up ?

2012-01-13 Thread Thomas Holder
Hi Troels, you need to reinstall. After svn up, run this again (not your big installation script, it does too much...): http://pymolwiki.org/index.php/Linux_Install#Compile_and_install Cheers, Thomas On 01/13/2012 12:34 PM, Troels Emtekær Linnet wrote: Hi. I use the open-source PyMOL

[PyMOL] Using super correctly

2012-01-13 Thread QT
Dear all, I'm having a tough time using the super command correctly. I want to superimpose two 5S structures. In pymol, I'll do the following load 2awb.pdb load 3cc2.pdb create ec-5s, 2awb and chain a create hm-5s, 3cc2 and chain 9 If I issue *super ec-5s, hm-5s* then the cryptic error

Re: [PyMOL] Using super correctly

2012-01-13 Thread David Hall
I think super does not handle nucleic acid sequences well. super ec-5s, hm-5s, seq=-1 works. I'll leave it to someone else to say what that does. I just noted that align works, super doesn't, guessed it had to do with sequence and noted that for align, the default value of seq was -1 and for

Re: [PyMOL] cmd.do(png filename) error

2012-01-13 Thread David Hall
On Fri, Jan 13, 2012 at 4:34 AM, tusi t...@enzim.hu wrote: Dear All, After updating to Ubuntu natty (11.04), cmd.do('png filename') does not work. When I execute the following commands in pymol I get the wanted png picture: load tmp.pdb tmp png tmp.png but, if I execute the following

Re: [PyMOL] cmd.do(png filename) error

2012-01-13 Thread Troels Emtekær Linnet
Have you checked the right path? Write in pymol cmd. pwd And check if the file is there. Could it be that easy? Troels Emtekær Linnet Slotsvej 2 4300 Holbæk Mobil: +45 60210234 2012/1/13 tusi t...@enzim.hu I have got the same result: no png image has been generated. Can you try doing

Re: [PyMOL] Using super correctly

2012-01-13 Thread Thomas Holder
Hi Quyen, unfortunately, the super command does a selection on CA atoms internally. Maybe this should be considered a bug. If you have the latest svn version of PyMOL, I recommend cealign for this task (older versions of cealign do select CA atoms as well). Cheers, Thomas On 01/13/2012

Re: [PyMOL] Using super correctly

2012-01-13 Thread Thomas Holder
On 01/13/2012 02:37 PM, David Hall wrote: I think super does not handle nucleic acid sequences well. super ec-5s, hm-5s, seq=-1 works. I'll leave it to someone else to say what that does. I just noted that align works, super doesn't, guessed it had to do with sequence and noted that for

Re: [PyMOL] Using super correctly

2012-01-13 Thread David Hall
I decided to dig in and answer my own question about what the seq argument does. seq: positive means use sequence and structure 0 means use only structure negative means only use sequence For super, I assume you only want to use structure, so messing with that argument is silly advice. The

Re: [PyMOL] cmd.do(png filename) error

2012-01-13 Thread tusi
Have you checked the right path? yes. Write in pymol cmd. pwd And check if the file is there. Could it be that easy? Yes, it is easy, but there is no png image nowhere, just in case, if I exec the command pnf from the pymol console. If I use python script, there is no any output, as I

Re: [PyMOL] Using super correctly

2012-01-13 Thread Jason Vertrees
Hi, Cealign's the way to go here. If you have a massively powerful computer you can continue turning off the guide which selects special carbons to guide the alignment. We need to improve/extend for nucleic acids. Would someone mind filing a feature request on the open-source bug tracker? We also

[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

[PyMOL] Still having problems with clean function even after using linux (ubuntu) install

2012-01-13 Thread Jonathan Saboury
I thought I would use ubuntu (through virtualbox) and I installed pymol through the app center. Still it was not allowing me to use clean maybe this is a function  for the paid version? If so that would suck for me bc im poor, I really need that function :(

Re: [PyMOL] Still having problems with clean function even after using linux (ubuntu) install

2012-01-13 Thread Jason Vertrees
Jonathan, Clean is integrated into the Incentive version for our paying customers. But, you can build it in yourself by adding freemol (http://freemol.org/) to your copy of PyMOL. Cheers, -- Jason On Fri, Jan 13, 2012 at 2:28 PM, Jonathan Saboury jsab...@yahoo.com wrote: I thought I would use

[PyMOL] frag command

2012-01-13 Thread Troels Emtekær Linnet
Hi you all. I need to build a cys residue for a script, to align it to a residue. I am looking at the command: frag cys cmd.do(frag cys) but by script does not wait for frag to complete, and speed on. Is there a cmd.frag ? Or how can i find more information on frag? Cheers

Re: [PyMOL] frag command

2012-01-13 Thread Troels Emtekær Linnet
Found it. cmd.fragment under modules/pymol/creating.py Troels Emtekær Linnet Slotsvej 2 4300 Holbæk Mobil: +45 60210234 2012/1/13 Troels Emtekær Linnet tlin...@gmail.com Hi you all. I need to build a cys residue for a script, to align it to a residue. I am looking at the command: frag

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.