Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-12 Thread Thomas Holder
Hi Bob, On 10 Feb 2014, at 20:43, Robert Hanson hans...@stolaf.edu wrote: I haven't explored JyMOL, but I guess it has the potential to do that, and like Jmol could probably be converted to JavaScript. I don't know. But I'm guessing it uses WebGL which isn't an adequate solution in my

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-12 Thread Robert Hanson
My only real objection is that WebGL is not supported on iOS in browsers. Beyond that, I probably just don't know enough about it to do it right. On Wed, Feb 12, 2014 at 1:50 PM, Thomas Holder thomas.hol...@schrodinger.com wrote: Hi Bob, On 10 Feb 2014, at 20:43, Robert Hanson

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-10 Thread Sampson, Jared
Hi Riccardo - Looking at the source (pymol/layer1/Ray.c, in RayRenderIDTF(), starting around line 2254) I can confirm that Sphere, Cone, Cylinder and Sausage representations are not implemented in the IDTF exporter. Currently only triangle mesh representations (cartoon, surface) are

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-10 Thread Robert Hanson
So in the mean time, Riccardo, I guess what you are already using: xxx.pse -- JmolData.jar -- idtf is your best bet. Q: What sort of size of PDF file are you seeing in the end? Q: Do you see this a practical and useful in some way? If so, in what way? Bob Hanson

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-10 Thread Robert Hanson
Riccardo, like me, I think you forgot to reply all. (I gather that from your addressing two of us and not just me.) Yes, Jmol does that. It's not perfect, but it's a respectable amount of PyMOL functionality. This is actually something that Warren and I talked about not too long before his

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-10 Thread Sampson, Jared
Hi Riccardo - I guess you are asking if layer1/Ray.c is the only place you'd have to write code to implement IDTF export of spheres, cylinders, etc.? Then I believe the answer is yes. I'm working on a COLLADA implementation as one of my PyMOL Open Source Fellowship projects this year, and

Re: [PyMOL] Corrupted IDTF file from small molecule (sticks representation)

2014-02-10 Thread Riccardo
I'm sorry for the news.. I did not know about DeLano's death ... in November of 2009, I read: I did not know about the Open Source PyMOL Fellowship projects of which Jared has spoken, so I made a web search, finding this http://www.pymol.org/fellowship web page, and so the news, with the date ...