Re: [MMTK] [PyMOL] improving interoperability between python molecule toolkits (fwd)

2002-12-12 Thread Konrad Hinsen
Eugen Leitl writes: > It seems to be in everyone's interest to allow easy interoperation > between the toolkits. However, in my experience it is a frustrating and > difficult task, even for relatively simple tasks. True. > I believe that a common set of core modules is required. The most Not

RE: [PyMOL] Lighting questions: round 2

2002-12-12 Thread Schubert, Carsten
Kelley, syntax is something like this: set light, [ 0.0, 0.0, -1.0 ] If you want to shine light directly from above I would give set light, [ 0.0, -1.0, 0.0 ] a shot. i.e. with a vector from [0,0,0] to [ 0.0, -1.0, 0.0 ], but that is just a guess. I have not seen any documentation on h

[PyMOL] Lighting questions: round 2

2002-12-12 Thread Kelley Moremen
Dear Pymolers, After my last round question on lighting it became clear that the relevant setting for positing the light source for the ray traced image was ³light². There are three parameters to be set with the ³light² setting, but it is not clear what each value refers to (is it X,Y,Z for the po

Re: [PyMOL] Setting light direction in ray traced images

2002-12-12 Thread Kristl Adams
You can go to Settings - Edit all and change the vetor of the light ... you may also want to increase direct -- light coming from camera shot or ambient light. Check out pg 32 and 33 in the online manual (Ray-Tracing section). Do you know if I can add an additional light and how to do that? Thank

Re: [MMTK] [PyMOL] improving interoperability between python molecule toolkits (fwd)

2002-12-12 Thread Gustavo Mercier
Hi! I think the comments below are right on the money. I believe that a molecular modeling package powered by Python is a great idea, particularly for those who would like to teach computational chemistry. For example, many popular modeling packages allow the students to perform simulations usin

[PyMOL] Setting light direction in ray traced images

2002-12-12 Thread Kelley Moremen
Dear Pymolers, I am sure this has been discussed previously but I can¹t find the response anywhere. How do you alter the light settings to allow you to change the direction of incoming light (and corresponding shadows). I am generating images of a deep active site pocket in a slab view and I nee

Re: [PyMOL] Poyray / windows

2002-12-12 Thread Virgile Adam
Hi Kristl, Use "ray renderer=1" instead of a simple "ray". The raytracing will use Povray if well installed and create a pov file. Hope that it helps Cheers Virgile

[PyMOL] Poyray / windows

2002-12-12 Thread Kristl Adams
Is it possible to output a Pymol file that Povray can read using windows? Also is it possible to add lights into a Pymol file? Thanks, Kristl

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
Hi again, Ok, so the license is available at http://www.bio.cam.ac.uk/nmr/ccp/project/about_ccpn/licensing/licensing.html Unfortunately, this looks quite incompatible to the GPL: (2) Conditions for DISTRIBUTION of SOFTWARE to MEMBERS (2.1) An individual or ORGANISATION must be a MEMBER of

Re: [PyMOL] improving interoperability between python moleculetoolkits

2002-12-12 Thread Richard Gillilan
Jules Jacobsen wrote: > ... stuff deleted > The core of this program is the data model in which each atom in a > molecule is defined. The next layer are the conversion scripts which take > the molecule data from the model and pipe them out to whatever format is > needed for the various data manipu

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
On Thu, Dec 12, 2002 at 10:33:47AM +, Jules Jacobsen wrote: > I completely agree here, an integrated total platform would be immensely > useful. > I think that the problem is not necessarily all that far from a solution- > currently there is a collaborative computing project for NMR (CCPN) > >

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Jules Jacobsen
I completely agree here, an integrated total platform would be immensely useful. I think that the problem is not necessarily all that far from a solution- currently there is a collaborative computing project for NMR (CCPN) http://www.bio.cam.ac.uk/nmr/ccp/ The core of this program is the data mod

[PyMOL] Re: molecular surfaces

2002-12-12 Thread Kristian Rother
Dear Rajarshi Guha, You could at least try to reconfigure Robert Campbell's Color-by-B-factor script. It assigns each atom its own color according to another value. http://www.rubor.de/bioinf/pymol_tips.html#bfac Kristian