From: Brandon H. <Bra...@as...> - 2005-08-16 04:07:13
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Miguel, > I would like to display a movie of the conformational motion, but I do > not want to have to create an additional PDB file that is simply a=20 > cat'ed version of all the other output files, as this will essentially > double the amount of space each run requires. =20 Please explain your concern about doubling the amount of space. For the size data that you are working with, disk space is effectively fr=3D ee. Client performance and network bandwidth are more important. =20 Our software generates unique, valid, conformations of proteins. The number of conformations produced depends on how long of a simulation the user runs, and how often they output files. Typically, I output ~30 conformations for a directed run (finds a pathway between two conformations) and 50-100 conformations for undirected (freely exploring space consistent with the constraints we have put into the program). We have a "file cabinet" functionality so that users can keep their data online for further analysis, rerunning, sharing with others, etc. If we plan for ~300 users, at 50 runs, each with 20 conformations of a 50KB file, that's 15TB. Space is an issue for us, and user quotas are going to be implemented (I've only got 2.1TB to work with, for now..) =20 As you stated, bandwidth is also an issue. I'm trying to decide between generating the cat'ed files on the fly when the user loads the page, or using the load/delay method you describe below. I'll probably try both, and see which is faster.=20 =20 Thanks Brandon =20 > Does anyone know if it is possible with scripting to load=20 > each of my conformers sequentially, and then display them as an=20 > animation? =20 Someone else asked the same question. =20 I recently changed the code so that loading a new molecule does not clear=3D =20 the old molecule. Therefore, a script that simply alternates load and delay script commands should work =20 load =3D22x000=3D22; delay 0.5; load =3D22x001=3D22; delay 0.5; load =3D22x002=3D22; delay 0.5; =20 You must interleave calls to either 'delay' or 'refresh', otherwise the script will keep running and the display will not get updated. =20 > A results similar to the anim command would be desirable. =20 > Otherwise, I think we'll need to hack something with php and rpc in=20 > order to dynamically create and destroy a concatenated file for=20 > viewing. =20 I suggest: - create the catted file statically - Don't worry about the space - Compress everything with gzip. =20 |