Re: [PyMOL] 2 Questions for the User Community

2004-02-08 Thread pmartel
Dear Warren, I am more less neutral regarding the cartoon setting, but I definitely prefer the ribbon_sampling=1, since this is what I want to get almost all the time. Cheers, Paulo

RE: [PyMOL] Electrostatic potential maps in PyMOL

2003-07-11 Thread pmartel
Dear Esben, Gromacs can create pqr files, but does it in a very bad way - the radii information comes from a very limited set of atoms, and not directly from the forcefield parameters. A colleague of mine, Antonio Baptista, has written an awk script that can generate a proper pqr file from a gro

RE: [PyMOL] Further functionality

2003-07-09 Thread pmartel
Quoting "Warren L. DeLano" : > > 1- calculation of surface potentials- will this be coming soon? > > Creation of a Possion-Boltzman solver is a bit of work, so this will not > happen very soon -- probably not until we accumulate enough sponsorship > to contract with someone to perform the task.

Re: [PyMOL] spheres in very large ppdb files

2002-10-02 Thread pmartel
Quoting Ronald L Koder : > I'm relatively new to PyMOL, and I've been repeatedly running into > a problem with the pdb files I use, namely that whenever I try to use the > show spheres command the program crashes. The same scripts work for > smaller proteins, so I'm guessing I need to find some w

Re: [PyMOL] Meaning of the get_view block

2002-10-02 Thread pmartel
Quoting Serge Cohen : > -BEGIN PGP SIGNED MESSAGE- > Hash: SHA1 > > Hi again, > > I posted a question few days ago about the way to center on a particular > zone of a structure without using the zoom command (which would touch a > lot of view parameters at once). Dear Serge, I think tha

Re: [PyMOL] get_view

2002-10-02 Thread pmartel
Dear Luca and Serge, > > PS: If any one as some info on the previous questions I asked (get_view > > blocks...), really don't fill shy about it. I did not have any answer > > (even off list) > here is the meaning of the rotation matrix: set_view (\ #rotation matrix, describes the orientation