Re: [PyMOL] Reading CCP4 maps

2002-09-06 Thread Gareth Stockwell
One other thing - 

PyMOL has a flag which determines whether the density values will be 
normalised - if this flag is not set, then

isomesh mesh_name, map_name, 1

will contour the map at 1-sigma; to contour at an absolute value, you must 
do

set normalize_ccp4_maps=0

BEFORE loading the map.  If the flag is set, the program will print some
information about the calculated mean and std deviation when you load a
map.  Commonly-used settings like this can be put in your ~/.pymolrc file
(at least on a UNIX system), so that they are executed whenever PyMOL
starts up.

Gareth



---
 Gareth Stockwell
 EMBL - European Bioinformatics Institute
 Wellcome Trust Genome Campus
 Hinxton
 Cambridge CB10 1SD gar...@ebi.ac.uk
 Tel 01223 492548   http://www.ebi.ac.uk/~gareth





Re: [PyMOL] Reading CCP4 maps

2002-09-05 Thread Robert Campbell
Quyen,

* Quyen Hoang hoa...@mcmail.cis.mcmaster.ca [2002-09-05 15:32] wrote:
 I would like to read CCP4 electron-density maps into PyMol, but I don't
 know how (explore maps loaded fine). Would someone please give me a quick
 summary of the procedure.
 Thank you!

simply doing:

  load mapfile.ccp4, map_object_name

will load the map, but if the filename doesn't end in '.ccp4', then you'll
need to specify that it is CCP4 format with something like:

  load mapfile.ccp4_map, map_object_name, 1, ccp4

Then you'll want to display it with a similar sort of isomesh command
that you would have used for the xplor map.

  isomesh mesh_object_name, map_object_name, contour level, selection, radius

The on-line manual describes this pretty clearly (in fact, probably
better than I have!):

  http://pymol.sourceforge.net/html/S0400xtal.html

Cheers,
Robert
-- 
Robert L. Campbell, Ph.D.   http://biophysics.med.jhmi.edu/rlc
r...@k2.med.jhmi.eduphone: 410-614-6313
Research Specialist/X-ray Facility Manager
HHMI/Dept. of Biophysics  Biophysical Chem., The Johns Hopkins University
PGP Fingerprint: 9B49 3D3F A489 05DC B35C  8E33 F238 A8F5 F635 C0E2



Re: [PyMOL] Reading CCP4 maps

2002-09-05 Thread Nigel Moriarty
You can also type

help load

into either window for similar info.

Nigel
- Original Message -
From: Robert Campbell r...@k2.med.jhmi.edu
To: pymol-users@lists.sourceforge.net
Sent: Thursday, September 05, 2002 12:47 PM
Subject: Re: [PyMOL] Reading CCP4 maps


 Quyen,

 * Quyen Hoang hoa...@mcmail.cis.mcmaster.ca [2002-09-05 15:32] wrote:
  I would like to read CCP4 electron-density maps into PyMol, but I don't
  know how (explore maps loaded fine). Would someone please give me a
quick
  summary of the procedure.
  Thank you!

 simply doing:

   load mapfile.ccp4, map_object_name

 will load the map, but if the filename doesn't end in '.ccp4', then you'll
 need to specify that it is CCP4 format with something like:

   load mapfile.ccp4_map, map_object_name, 1, ccp4

 Then you'll want to display it with a similar sort of isomesh command
 that you would have used for the xplor map.

   isomesh mesh_object_name, map_object_name, contour level, selection,
radius

 The on-line manual describes this pretty clearly (in fact, probably
 better than I have!):

   http://pymol.sourceforge.net/html/S0400xtal.html

 Cheers,
 Robert
 --
 Robert L. Campbell, Ph.D.   http://biophysics.med.jhmi.edu/rlc
 r...@k2.med.jhmi.eduphone: 410-614-6313
 Research Specialist/X-ray Facility Manager
 HHMI/Dept. of Biophysics  Biophysical Chem., The Johns Hopkins University
 PGP Fingerprint: 9B49 3D3F A489 05DC B35C  8E33 F238 A8F5 F635 C0E2


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