[PyMOL] Suggested stereo parameter settings

2001-12-13 Thread Dirk Kostrewa
Dear PyMOL users, in case that you may find the current stereo parameters not optimal, here are my suggestions: put the following lines in your .pymolrc file (copy from /pymol/sample.pymolrc): set stereo_angle=6.0 set stereo_shift=0.0 At least on our SGIs these settings produce a significantly b

[PyMOL] add hydrogens

2001-12-13 Thread Addis
I start to work in computational chemistry and I use as imput file of my algorithm a pdb standard format, I need all atoms for my calculation (also hydrogens), but frequently the examples I found are without hydrogens. I have used the command h_add and it works: it add hydrogens, but the names

RE: [PyMOL] add hydrogens

2001-12-13 Thread DeLano, Warren
Addis, Yes, I am aware of this issue and plan to address it in later versions. Hydrogen adding needs to become residue-aware. Note that when you are building amino acids, they do start out with qausi-correct hydrogen names. There is still some ambituity as to which convention is followed fo

[PyMOL] installation on WindowsXP operating system

2001-12-13 Thread Sue Heavner
Dear PyMol users: I recently upgraded to WindowsXP from WindowsMe, in doing so I had some problems that ultimately resulted in wiping out my hard drive. I have tried to downlad and reinstall PyMol and I am experiencing some difficulty. I have ben able to download and install Python-2.1 successf