[PyMOL] cut-off distance

2005-02-07 Thread Stefano Marzi
Hi, Does anybody knows if PyMol is implemented with a cut-off distance feature, i.e. if I can select some atoms on my structure and visualize only the portion of the fitted density map that is located at a defined distance from my selection? Thank you Stefano

Re: [PyMOL] apbs error ObjectMapLoadDXFile-Error: Unable to open file! / multiple electrostatics maps overlapping

2005-02-07 Thread Michael George Lerner
Hi, I've been meaning to update APBS tools so that some of the warnings are larger and better explained. WARNING: 53 atoms did not have properties assigned means that PyMOL couldn't automatically assign properties for 53 atoms in yoru molecule. This is usually because you have

[PyMOL] RE: [Jmol-developers] structure detection?

2005-02-07 Thread Warren DeLano
Nicholas, For example, each pattern that matches the following is alanine : a C bonded to CH3, NH2 and COOH. The algorithm must also deals with peptide bonds and disulfure bonds. It must also work when the H atoms are not int the xyz file. You're on the right track. In fact, most

[PyMOL] label

2005-02-07 Thread surendra negi
Hi, I am back with a small prob! may be i am missing something in command line Q: How to label residue in cartoon selection using command line. Sincerely sn __ Do you Yahoo!? The all-new My Yahoo! - What will yours do? http://my.yahoo.com

[PyMOL] Stereo 3D News

2005-02-07 Thread Warren DeLano
Topic (1): If any of you are going to LinuxWorld next week in Boston, be sure to stop by the Emperor Linux booth (# 1821 - http://www.emperorlinux.com). They are slotted to demonstrate a new Linux-based laptop from Sharp Electronics that has their latest 15 autostereoscopic 3D LCD display --

Re: [PyMOL] apbs error ObjectMapLoadDXFile-Error: Unable to open file! / multiple electrostatics maps overlapping

2005-02-07 Thread Michael George Lerner
Hi, On Mon, 7 Feb 2005, Sabuj Pattanayek wrote: Dear Mr. Lerner, Thanks for letting me know about the PDB2PQR server. I was able to generate a pqr from the NBCR website that then works with APBS to generate the dx map. I'm not sure how to get the same electrostatic gradient effect on the

[PyMOL] Documentation / Wiki Brain Storming

2005-02-07 Thread Warren DeLano
Is there some kind of pymol startup switch or environment variable to disable loading into a stereo window? Use the -M startup option (forces a mono OpenGL graphics context). Is this documented anywhere? Hmm no. Say, what do people think about the idea of creating a PyMOL Wiki to hold

Re: [PyMOL] cut-off distance

2005-02-07 Thread Jason Thomas Maynes
show sticks, [selection] around [angstoms] or more usefully: show sticks, byres [selection] around [angstoms] You can load a map in a similiar manner. This is also in the manual so I would suggest looking there first, it's quicker than waiting for a list reply. Cheers, JTM We can be sure

RE: [PyMOL] cut-off distance

2005-02-07 Thread Warren DeLano
only the portion of the fitted density map that is located at a defined distance from my selection? This is what the carve option to isosurface and isomesh do: isomesh mesh-name, map-name, level, selection, carve=distance load map1.xplor load ref.pdb zoom ref and resn LIG, 3 isomesh mesh1,

[PyMOL] RE:

2005-02-07 Thread Warren DeLano
dude, what's a WIKI? Hah! Well, in case you're wondering it has nothing to do with... this http://www2.gvsu.edu/~oatesr/wookie.jpg this http://www.geocities.com/Area51/Corridor/8289/wicket.jpg this http://www.prairielights-croquet.org/wicket.jpg or this