Adding atom types in the Gaff parameter files of chimera.
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HI guys, I am trying to add another type of atom in the GAFF parameter file that is called during the minimization process and can't find the right place. Could you give me a hand please? best, JD Dr. Jean-Didier Maréchal Lecturer The Computational Biotechnological Chemistry Team Unitat de Química Física Departament de Química Universitat Autònoma de Barcelona Edifici C.n. 08193 Cerdanyola (Barcelona) Tel: +34.935814936 e-mail: JeanDidier.Marechal@uab.es www: http://asklipio.qf.uab.es ----- Missatge original ----- De: chimera-dev-request@cgl.ucsf.edu Data: Dimecres, Juny 30, 2010 9:00 pm Assumpte: Chimera-dev Digest, Vol 76, Issue 4
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Today's Topics:
1. Re: pil background Image (Greg Couch)
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Message: 1 Date: Tue, 29 Jun 2010 14:10:46 -0700 From: Greg Couch <postmaster@cgl.ucsf.edu> To: Ludovic Autin <autin@scripps.edu> Cc: "chimera-dev@cgl.ucsf.edu" <chimera-dev@cgl.ucsf.edu> Subject: Re: [chimera-dev] pil background Image Message-ID: <4C2A6156.6070100@cgl.ucsf.edu> Content-Type: text/plain; charset="iso-8859-1"; Format="flowed"
Hi Ludovic,
This is possible, but a little tricky. It requires writing Python code. So if I were to code a solution (and I may if you don't, but I need to fix a few bugs first), I'd make a chimera extension that would load an image into an OpenGL texture, then in the 2D drawing pass, I'd draw it underneath everything that is currently drawn. The reason for using a texture instead of a bitmap is to allow for high resolution backgrounds for saving images.
If you are inclined to write this yourself, code for a chimera extension that does OpenGL in Python can be found in the CHIMERA/share/Ilabel package.
-- Greg
On 6/23/2010 2:14 PM, Eric Pettersen wrote:
On Jun 22, 2010, at 1:25 PM, Ludovic Autin wrote:
Hi,
I would like to know if its possible to use a PIL or a raw image as a background image. And/Or can you help me figure out how to do it (maybe using some volume from image functinoality). Ideally, I would like to be able to update in realtime this background image (either using a thread, or a callback)
Hi Ludovic, The developer who could authoritatively answer your question (Greg Couch) is out this week, so I'll take a stab at it: I don't think so. :-) However, if your goal is to, say, make a movie with a background you provide then you could write out image files with a transparent background (described in this message: http://www.cgl.ucsf.edu/pipermail/chimera-users/2008- January/002197.html) <http://www.cgl.ucsf.edu/pipermail/chimera-users/2008- January/002197.html%29> and use most any image-processing program to compose the Chimera images with the background(s) you prefer. Despite my flippant answer in the first sentence, I don't really know if it is possible to directly change the background. When Greg gets back I hope he will comment on that. Perhaps you could say more about what your ultimate goal is?
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
Hi Ludovic,
Everything is possible.
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Hi JD, My understanding of the workings of Amber is a little shaky, but I think you want <your Chimera installation>/bin/amber11/dat/leap/parm/ gaff.dat. It's certainly one of the files in that parm directory at least. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu On Jul 13, 2010, at 2:21 AM, Jean Didier Pie Marechal wrote:
HI guys,
I am trying to add another type of atom in the GAFF parameter file that is called during the minimization process and can't find the right place.
Could you give me a hand please?
best, JD
participants (2)
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Eric Pettersen
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Jean Didier Pie Marechal