Hi Sean e.a., In reply to your messages, first an overview as I picked up from the other mails:
1. eMovie integration (Simon Kolstoe) 2. Powerpoint plugin (Roger Rowlett) 3. Enhanced morphing (ibid) 4. Foolproof download (David Hall) 5. DynoPlot integration (ibid) 6. Improved undo/redo (ibid) 7. Ray/png size/resolution (Georg Steinkeller) 8. Set mirrors for downloading (Adrian Schreyer) 9. WebGL output (ibid) 10. Vector graphics support (Sean Law) 11. PDF support (ibid) 12. Trajectory support (ibid) 13. CG object GUI (ibid) As noted 2 and 3 are available in the incentive version. 4, 7 and 8 seem relatively straightforward to implement. For 5 steps should probably be taken by the DynoPlot crew, or at least it should be done in collaboration. 6 is indeed problematic but highly desirable. Undoing operations on states would require to store the differences between states, which can be huge, e.g. in the case of splitting accidentally. On the other hand, using wild cards makes it trivial to remove the splitted states again, so I don't think that particular point is worth the trouble. On the other hand, a view is not memory demanding, and it would be easy to keep a stack of those to allow undo/redo. 9. Yea :) 10. Yea. Not by any means trivial though. But I'd be happy to brainstorm on that one. 11. Would be cool. 12. Definite yea. I fear that this requires some serious changes inside though to allow efficient viewing of a trajectory, such as VMD and Yasara offer. The lack of trajectory support is a reason for many working on MD to use VMD rather than Pymol. On the other hand, for the open source/freeware version, the gromacs trajectory API could be interesting to aid in realization of it. In relation to this I'd really like to have support added for reading topology information, and to use this to set bonds, atom types, masses and charges, rather than the internal databases. Especially with the momentum of coarse grained simulations these days, it would be required to keep Pymol favoured over VMD. 13. Errm, yea, but... This would almost come down to integration of Pymol with Blender. Oh, please do, yea, yea! :D In relation to the last point, I would (14.) really like to see improved POV-Ray output. The mesh that is output currently is a mess, and highly inefficient. A correct mesh would require for each mesh object (cartoon, surface, ... per object) to be written as a set of nodes, with a set of pigments and a set of triangles, referring to the node list. Now each triangle is its own mesh2 object, which is terrible. In addition, I would also like to write POV-Ray include files on a per object basis, maybe as a setting "split_povray_output". That makes it much more easy to modify the scene. The master file would only contain the global settings (camera, light, etc.) and a number of include statements for the other objects. Actually, this is what I'm now usually doing by hand, enabling/writing/disabling each object and each representation... O, it's also almost trivial to include all views in the master file, so that a complete scene can be written out as a set of POV-Ray files. I'd be happy to streamline and contribute my POV-Ray code for that. Another thing on my mind is the desire to (15.) read in images as objects, or, better, as pigment/texture on an object. That will make it easy to overlay a structure on a graph for instance. Finally, unless I think of more later, I would like to be able to (16.) read and change coordinates quicker. Now, iterating over states to fiddle with coordinates is painstakingly slow. I'm afraid though that this is heavily tied in with the internal structure of Pymol, regarding objects and states. But if that were streamlined, probably together with 12, then probably Pymol would be able to become a true platform for analysis of trajectories. Cheers, Tsjerk On Wed, Jan 20, 2010 at 5:26 AM, Jason Vertrees <jason.vertr...@schrodinger.com> wrote: > PyMOLers, > > We need to move forward on PyMOL development, so I'm collecting ideas > from all our users on what they most want in future versions of PyMOL. > We already have a page on the PyMOL wiki for this > (http://pymolwiki.org/index.php/Ideas) from 2008/2009. We can discuss > the ideas here and on the wiki; this list is more for two-way > communication and the wiki for one-way. If you have a specific > request for an enhancement you can also email it directly to > h...@schrodinger.com; please put "PyMOL" in the subject so I can get > them easily. Each request submitted will be considered for > implementation. > > Last, you're particularly passionate about your feature request, email > me directly and we can chat about it via phone/skype. > > Thanks, > > -- Jason > > -- > Jason Vertrees, PhD > PyMOL Product Manager > Schrodinger, LLC > > (e) jason.vertr...@schrodinger.com > (o) +1 (603) 374-7120 > > ------------------------------------------------------------------------------ > Throughout its 18-year history, RSA Conference consistently attracts the > world's best and brightest in the field, creating opportunities for Conference > attendees to learn about information security's most important issues through > interactions with peers, luminaries and emerging and established companies. > http://p.sf.net/sfu/rsaconf-dev2dev > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist ------------------------------------------------------------------------------ Throughout its 18-year history, RSA Conference consistently attracts the world's best and brightest in the field, creating opportunities for Conference attendees to learn about information security's most important issues through interactions with peers, luminaries and emerging and established companies. http://p.sf.net/sfu/rsaconf-dev2dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
