[PyMOL] Commands which change coordinates

2009-02-03 Thread pouliakhina irina
Hello everybody, There is a command rotate which rotates the molecule and if you save this molecule, you'll see changes in coordinates. There is a command move which moves the molecule but if you save the moved molecule there'd be no changes in coordinates. Is there any command which moves the

Re: [PyMOL] Commands which change coordinates

2009-02-03 Thread Andreas Förster
Hey Irina, translate works like rotate (change of coordinates) move works like turn (change of camera) Type 'help move', and you be given a list of related commands at the end of the help file. Andreas pouliakhina irina wrote: Hello everybody, There is a command rotate which rotates

[PyMOL] Capping cut surface of map

2009-02-03 Thread Neil Ranson
Dear All, Does anyone know of a way in which you can cap the surfaces of a map where they are cut by the clipping planes. Ideally with a colour related to the current map colour, and even more ideally with user- controlled transparency? In chimera this is the 'surface capping' option, which

[PyMOL] Cofactor Spheres size

2009-02-03 Thread Joachim Reichelt
Dear all, we are interested in Molecules with Atoms unknown to pymol. So pymol does not know the vdW radius of these atome. Where can I define those values? -- Joachim

Re: [PyMOL] Cofactor Spheres size

2009-02-03 Thread Warren DeLano
Once an molecule is loaded into PyMOL, you can always alter selection, vdw=value e.g. load unknown.pdb alter unknown and symbol Xz, vdw=3.0 alter unknown and symbol Y, vdw=2.4 rebuild etc. Cheers, Warren -Original Message- From: Joachim Reichelt

Re: [PyMOL] Capping cut surface of map

2009-02-03 Thread Thomas Stout
Hi Neil -- Do you mean like this raster3d example? http://skuld.bmsc.washington.edu/raster3d/examples/slice.png I also think this would make a great feature addition to PyMOL ! (but probably not a priority for the developers...) -Tom From: Neil Ranson

[PyMOL] trouble with symexp command

2009-02-03 Thread David Garboczi
I am examining packing in several space groups by issuing the command symexp foo, foo.pdb, sele, 10 If I select the whole reference molecule, I think that I should get all the symmates within 10 A displayed. But for one of the crystals that I am dealing with, CRYST1 29.24 44.19 107.67