Re: [PyMOL] Building of the Carbon lattice

2013-01-04 Thread Thomas Holder
Hi James, just calculate the coordinates and write them out in PDB format, quite simple task. Try the attached script. Cheers, Thomas James Starlight wrote, On 01/04/13 09:14: Hi Mike, Chimera can build such lattices by means of it's build structure module. On other hand I want to build

Re: [PyMOL] Regarding electrostatic potential mapping

2013-01-04 Thread Thomas Holder
Hi Soumya, can you send me (off-list) the map file and pdb file? Cheers, Thomas Soumya Lipsa Rath wrote, On 12/29/12 13:41: Dear Users, I am trying to calculate the electrostatic potential of my protein using Delphi software. However, when I load it to pymol, I see the red colour at the

Re: [PyMOL] Building of the Carbon lattice

2013-01-04 Thread Mike Marchywka
Where do you get the x_shift and y_shift values? I ended up writing a program to take bond lengths and directions relative to select coord systems to generate periodic or almost periodic things. Right now polyenes but extensible. Is there some program that does this easily? This allows me to

Re: [PyMOL] Building of the Carbon lattice

2013-01-04 Thread Thomas Holder
Hi Mike, I simply measured x_shift and y_shift from a cyclohexane fragment. Use the graphical Builder or the fragment command to load stuff from the fragment library. PyMOL fragment cyclohexane Cheers, Thomas Mike Marchywka wrote, On 01/04/13 15:44: Where do you get the x_shift and y_shift

Re: [PyMOL] Building of the Carbon lattice

2013-01-04 Thread Mike Marchywka
well, my point was just that they seem to be orientation sensitive although I didn't look at entire script in any detail and that if you wanted to re-orient the fragment you would have to recalculate these. Nothing difficult but just easier if there was a script that said something like put