[PyMOL] how to get pymol sec structure assignments printed out

2005-06-17 Thread hari jayaram 
Hi 
I was just wondering how to get the pymol secondary structure assignments 
printed out .
I was looking to manually do this for all the helix and strand starts and 
stops..but I was wondering if there is some way to have it print to the 
screen or a file the assignments it uses for the cartoons...
like 
helix from A1 to A50 ..

Thanks for your help in advance 
Hari Jayaram
Brandeis University

[PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread hari jayaram 
I am sorry for being so needy ..Is there a way to quickly write this out to 
a file..I am a total python non savant and I have spent the last hour 
struggling with file open and write commands and gotten nowhere.
So how do I write out the result of

iterate name ca, print chain,resi,ss

to a file .

Thanks again
Hari Jayaram
Brandeis University


On 6/17/05, Warren DeLano war...@delsci.com wrote:
 
 iterate name ca, print chain,resi,ss
 
 
 --
 Warren L. DeLano, Ph.D.
 Principal Scientist
 
 . DeLano Scientific LLC
 . 400 Oyster Point Blvd., Suite 213
 . South San Francisco, CA 94080 USA
 . Biz:(650)-872-0942 Tech:(650)-872-0834
 . Fax:(650)-872-0273 Cell:(650)-346-1154
 . mailto:war...@delsci.com
 
 
  -Original Message-
  From: pymol-users-ad...@lists.sourceforge.net
  [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of
  hari jayaram
  Sent: Friday, June 17, 2005 5:33 AM
  To: pymol-users@lists.sourceforge.net
  Subject: [PyMOL] how to get pymol sec structure assignments
  printed out
 
  Hi
  I was just wondering how to get the pymol secondary structure
  assignments printed out .
  I was looking to manually do this for all the helix and
  strand starts and stops..but I was wondering if there is some
  way to have it print to the screen or a file the assignments
  it uses for the cartoons...
  like
  helix from A1 to A50 ..
 
  Thanks for your help in advance
  Hari Jayaram
  Brandeis University

Re: [PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread T.A.Wassenaar 


I think you can try:

ffout=open('secstruc.txt','w')
iterate name ca, ffout.write(repr((chain, resi, ss)))

Hope it works, but otherwise Warren will correct me :)

Tsjerk

On Fri, 17 Jun 2005 11:12:53 -0400
 hari jayaram hari...@gmail.com wrote:
I am sorry for being so needy ..Is there a way to 
quickly write this out to 
a file..I am a total python non savant and I have spent 
the last hour 
struggling with file open and write commands and gotten 
nowhere.

So how do I write out the result of

iterate name ca, print chain,resi,ss

to a file .

Thanks again
Hari Jayaram
Brandeis University


On 6/17/05, Warren DeLano war...@delsci.com wrote:


iterate name ca, print chain,resi,ss


--
Warren L. DeLano, Ph.D.
Principal Scientist

. DeLano Scientific LLC
. 400 Oyster Point Blvd., Suite 213
. South San Francisco, CA 94080 USA
. Biz:(650)-872-0942 Tech:(650)-872-0834
. Fax:(650)-872-0273 Cell:(650)-346-1154
. mailto:war...@delsci.com


 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net
 [mailto:pymol-users-ad...@lists.sourceforge.net] On 
Behalf Of

 hari jayaram
 Sent: Friday, June 17, 2005 5:33 AM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] how to get pymol sec structure 
assignments

 printed out

 Hi
 I was just wondering how to get the pymol secondary 
structure

 assignments printed out .
 I was looking to manually do this for all the helix 
and
 strand starts and stops..but I was wondering if there 
is some
 way to have it print to the screen or a file the 
assignments

 it uses for the cartoons...
 like
 helix from A1 to A50 ..

 Thanks for your help in advance
 Hari Jayaram
 Brandeis University