Re: [PyMOL] displaying protein with propeptide

2005-11-17 Thread Eric Zollars
Is there a similar command to force PyMOL to use only CONECT lines in the pdb file instead of generating connectivity by distance? Eric Warren DeLano wrote: A quick fix is to use the "retain_order" setting. set retain_order which will force PyMOL to honor the order of ATOMs in the PDB file o

Re: [PyMOL] Viewing cavities?

2005-11-02 Thread Eric Zollars
Marcus, Here is one way (courtesy Kyle Lassila): Check out VOIDOO: http://xray.bmc.uu.se/usf/voidoo.html Then: Use VOIDOO to make a map of the cavity. That gives a map in one of the electron density formats, .ezd. Then use MAPMAN (also found as Uppsala Software Factory) to convert to

Re: [PyMOL] coloring residues by a certain property

2005-03-28 Thread Eric Zollars
Check out Robert Cambell's scripts data2bfactor.py color_b.py at http://adelie.biochem.queensu.ca/%7Erlc/work/pymol/ Eric Eva Vanamee wrote: Hi, How can I color residues by a certain property? Let's say I have a list of property (e.g. mutation frequency from 0-1) for each amino acid residue

[PyMOL] wild card

2004-02-18 Thread Eric Zollars
Anyone who works with nucleic acids will certainly prefer the current situation.  From the PDB format guidelines: * The asterisk (*) is used in place of the prime character (') for naming atoms of the sugar group. The prime was avoided historically because of non-uniformity of its external repr

[PyMOL] save molecule format

2004-02-13 Thread Eric Zollars
with those sidechains with multiple conformations.  Anyone else have this problem?  Is there a quick fix? Pymol 0.93 on Fedora Core 1. Thanks. Eric Zollars

[PyMOL] mutagenesis

2003-12-03 Thread Eric Zollars
All- I have been attempting to add atoms to proteins that are missing electron density, mostly surface positions. In most cases I have been able to just add an atom or two (Build->Fragment->group); sometimes adding a whole rotamer is required. I have been unable to add a planar guanidino