Re: [PyMOL] Changing Bfactors

2008-01-14 Thread Tsjerk Wassenaar
Hi Ramakrishna,

On Jan 12, 2008 3:51 PM, rama krishna ram...@gmail.com wrote:

 Dear User,
 I need to color the Molecule based on generalized order parameter
 after running the script data2bfactor
 i used the command data2b_res 'mol','datafile'

 after that it shows that
 IOError: [Errno 2] No such file or directory: 'datafile'

 i would like to know whether i need to specify path of input file or
 i need to place it in specified folder.


Why don't you try? Note that you can also change the working directory
within pymol... (cd)

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623


Re: [PyMOL] Changing Bfactors

2008-01-14 Thread Robert Campbell
On Sat, 12 Jan 2008 20:21:37 +0530, rama krishna ram...@gmail.com wrote:

 Dear User,
 I need to color the Molecule based on generalized order parameter
 after running the script data2bfactor
 i used the command data2b_res 'mol','datafile'
 
 after that it shows that
 IOError: [Errno 2] No such file or directory: 'datafile'
 
 i would like to know whether i need to specify path of input file or
 i need to place it in specified folder.
 
 I prepared the input file like this
 
 1  MET  0.2
 .
 
 so on
 
 kindly suggest me where its going wrong

Perhaps the instructions on my web page were misleading.  Don't put quotes
around the name of the mol or datafile.  I.e. if you have a real object
named my_protein and a data file called interesting_info.dat, then the
command would be:

  data2b_res my_protein, interesting_info.dat

Cheers,
Rob
-- 
Robert L. Campbell, Ph.D.
Senior Research Associate/Adjunct Assistant Professor 
Botterell Hall Rm 644
Department of Biochemistry, Queen's University, 
Kingston, ON K7L 3N6  Canada
Tel: 613-533-6821Fax: 613-533-2497
robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc



[PyMOL] Changing Bfactors

2008-01-12 Thread rama krishna
Dear User,
I need to color the Molecule based on generalized order parameter
after running the script data2bfactor
i used the command data2b_res 'mol','datafile'

after that it shows that
IOError: [Errno 2] No such file or directory: 'datafile'

i would like to know whether i need to specify path of input file or
i need to place it in specified folder.

I prepared the input file like this

1  MET  0.2
.

so on

kindly suggest me where its going wrong

Ramakrishna