From: Quyen H. <ho...@mc...> - 2002-09-05 19:32:44
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Hi, 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! Regards, Quyen _______________________________ Quyen Hoang McMaster University Department of Biochemistry Health Science Centre Room 4H31 1200 Main Street West Hamilton, Ontario. L8S 4L8 CANADA Phone: (905)525-9140 ext: 22457 *********Bad to the Bone******** |
From: Robert C. <rl...@k2...> - 2002-09-05 19:47:26
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Quyen, * Quyen Hoang <ho...@mc...> [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 rl...@k2... phone: 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 |
From: Nigel M. <a_...@at...> - 2002-09-05 20:31:42
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You can also type help load into either window for similar info. Nigel ----- Original Message ----- From: "Robert Campbell" <rl...@k2...> To: <pym...@li...> Sent: Thursday, September 05, 2002 12:47 PM Subject: Re: [PyMOL] Reading CCP4 maps > Quyen, > > * Quyen Hoang <ho...@mc...> [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 > rl...@k2... phone: 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 > > > ------------------------------------------------------- > This sf.net email is sponsored by: OSDN - Tired of that same old > cell phone? Get a new here for FREE! > https://www.inphonic.com/r.asp?r=sourceforge1&refcode1=vs3390 > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users |
From: Gareth S. <ga...@eb...> - 2002-09-06 08:46:47
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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 ga...@eb... Tel 01223 492548 http://www.ebi.ac.uk/~gareth |
From: Quyen H. <ho...@mc...> - 2002-09-06 14:16:30
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I would like to express my appreciation for all the responses to my question, they were exactly what I was looking for! Thank you! Regards, Quyen _______________________________ Quyen Hoang McMaster University Department of Biochemistry Health Science Centre Room 4H31 1200 Main Street West Hamilton, Ontario. L8S 4L8 CANADA Phone: (905)525-9140 ext: 22457 *********Bad to the Bone******** |