[PyMOL] Display vectors of some atoms by arrow?

2009-09-09 Thread S4C6Ar Chung
Dear all, Is it possible to show normal model/vectors of the "selected atoms" by arrow in Pymol? Thank you for any suggestion and help. Best Wishes, Oscar -- Let Crystal Reports handle the reporting - Free Crystal Repo

Re: [PyMOL] Creating a single PDB from two PDB - ala docking by hand

2009-09-09 Thread Warren DeLano
Michael, Assuming you have a PyMOL 1.2 build with the Tcl/Tk user interface displayed: Load a small-molecule or peptide structure or simply type "fab " then (1) activate the builder by clicking on the "Builder" button on the upper window (2) click the "Bumps" checkbox (3) click the Sc

Re: [PyMOL] Creating a single PDB from two PDB - ala docking by hand

2009-09-09 Thread Warren DeLano
Mark, Assuming you have one of our PyMOL 1.2r1 builds (on Mac, launch as PyMOLX11Hybrid, not MacPyMOL), try the following command sequence: load $TUT/1hpv.pdb remove not (polymer or organic) remove not byres (organic expand 4) h_add flag fix, not organic show sticks, organic orient organic

Re: [PyMOL] help about mutation

2009-09-09 Thread Warren DeLano
Chandan, PyMOL's mutagenesis wizard is purely geometric, and is intended to offer up Dunbrack rotamers as per: http://dunbrack.fccc.edu/bbdep/bbdepdownload.php Cheers, Warren From: Chandan Choudhury [mailto:iitd...@gmail.com] Sent: Wednesday

Re: [PyMOL] undisplaying residues

2009-09-09 Thread Warren DeLano
Bala, The trick is to leave the phosphate displayed for those residues where the backbone should still be shown: hide everything, resi 20-40 and not elem p Cheers, Warren From: Bala subramanian [mailto:bala.biophys...@gmail.com] Sent: Monday

[PyMOL] help about mutation

2009-09-09 Thread Chandan Choudhury
I am querious to know on what mathematical basis does the software mutates the amino acids. -- Chandan kumar Choudhury NCL, Pune INDIA -- Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial.