[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 http://www.boardgamesrus.com/ima

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 mes

[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 n

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

2005-02-07 Thread Sabuj Pattanayek
Yeah that's perfect. Just what I was looking for! One other thing, anyone know how to turn the stereo visual off completely so that pymol doesn't load into an opengl stereo visual even if pymol detects that you have stereo capable hardware? Even when stereo is turned off the screen flickers li

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 m

[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 -- r

[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

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

2005-02-07 Thread Sabuj Pattanayek
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 molecule surface generated using APBS tools using t

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 t

[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 infor

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 non-standar

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

2005-02-07 Thread Sabuj Pattanayek
Dear Pymol users, I'm trying to run APBS v0.3.2 with pymol 0.98beta27, by first clicking the Set grid button, then clicking run APBS, but I get the error message shown below. coarsedim is [119.03399429321288, 109.91349792480469, 143.63640098571776] finedim is [90.019996643066406, 84.654998779

[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