[PyMOL] spectrum

2004-04-15 Thread Marc Saric
Hi all, I have a question regarding the spectrum command and b-factors. How are the color-ranges calculated by spectrum? I.e. i would like to know the values for the different shades like in the color_b.py-script, which gives you not only a total range, but also the bins. I would like to

[PyMOL] installation problem

2004-04-15 Thread Shu-Hsien Sheu
Hi, Our system administrator of a linux cluster have trouble upgrading from 0.93 to 0.95: [mfitz...@man local]$ sudo rpm -U --test pymol-0.95-1.rh73.py22.i386.rpm [mfitz...@man local]$ sudo rpm -U pymol-0.95-1.rh73.py22.i386.rpm warning: user warren does not exist - using root warning: user

Re: [PyMOL] installation problem

2004-04-15 Thread Yu Chen
The warning is ok, just ignore. And to check the rpm package, use pymol as package name, not with version numbers. like 'rpm -q pymol' Chen On Thu, 15 Apr 2004, Shu-Hsien Sheu wrote: Hi, Our system administrator of a linux cluster have trouble upgrading from 0.93 to 0.95: [mfitz...@man

Re: [PyMOL] installation problem

2004-04-15 Thread Michael Banck
On Thu, Apr 15, 2004 at 10:27:32AM -0400, Shu-Hsien Sheu wrote: [mfitz...@man local]$ sudo rpm -V pymol-0.95-1 package pymol-0.95-1 is not installed Just a shot in the dark, but are you sure the package is called pymol-0.95-1 and not just pymol? Michael

Re: [PyMOL] Selections

2004-04-15 Thread Michael George Lerner
For example, I found a PDB online called 'pope.pdb' (a cool lipid bilayer; http://moose.bio.ucalgary.ca/Downloads/) and simply wanted to select all the hydrophobic tails and hydrophilic heads so that I may apply different attributes to each. If I need to select the tails, which in the PDB

Re: [PyMOL] Selections

2004-04-15 Thread Robert Campbell
Hi Jason, * Jason Vertrees javer...@utmb.edu [2004-04-14 22:55] wrote: Master Users, I'm a bit new to PyMol and still trying to master selections. I've read the documentation and played with quite a few macromolecules now and still have some problems with selections. For example, I

RE: [PyMOL] Selections

2004-04-15 Thread Warren DeLano
must I do c10+c11+c12...c50? Yes, unfortunately. However, this long selection: select tails1, r. pop n. c17+c18+c19+c20+c21+c22+c23+c24+c25+c26+c27+c28+c29+c30+c31+ca 1+ca2+c36 +c37+c38+c39+c40+c41+c42+c43+c44+c45+c46+c47+c48+c49+c50 Can be replaced with some Python code in your script:

RE: [PyMOL] Re: give unique chain identifiers

2004-04-15 Thread Warren DeLano
Dan, First, get down to 26 or fewer objects, then issue the following commands: objs = cmd.get_names('objects') pairs = map(None, objs, range(65, 65+len(objs)) for pair in pairs: \ cmd.alter(pair[0], chain='%s'%chr(pair[1])) NOTE: That last comment will take a little while... Cheers,