From: Mad <m....@un...> - 2007-07-04 06:19:23
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Hi, I'm looking for a possibility to do a surface triangulation for molecules, where I have basicly given only surface points. Is this possible with pymol or can you point me some sources for doing this. I did some searching through the scientific world and came across several triangulation algorithms and libraries but unfortunately I'm not a mathematician nor a big programmer so that I didn't see the possibility to easy use them for molecule surfaces. After some thinking I recognized that there are several opensource molecular modelling programs out there and as I do not want to reinvent the wheel I ask this here. Mathias |
From: DeLano S. <de...@de...> - 2007-07-06 04:43:19
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Mathias, PyMOL brute-forces a solution to this problem for molecular surfaces with relatively evenly-spaced points. The relevant source file is layer0/Triangle.c. Cheers, Warren > -----Original Message----- > From: pym...@li... > [mailto:pym...@li...] On Behalf Of Mad > Sent: Tuesday, July 03, 2007 11:05 PM > To: pym...@li... > Subject: [PyMOL] Generate Surfaces from a dot cloud > > Hi, > > I'm looking for a possibility to do a surface triangulation > for molecules, where I have basicly given only surface > points. Is this possible with pymol or can you point me some > sources for doing this. I did some searching through the > scientific world and came across several triangulation > algorithms and libraries but unfortunately I'm not a > mathematician nor a big programmer so that I didn't see the > possibility to easy use them for molecule surfaces. > After some thinking I recognized that there are several > opensource molecular modelling programs out there and as I do > not want to reinvent the wheel I ask this here. > > Mathias > > -------------------------------------------------------------- > ----------- > This SF.net email is sponsored by DB2 Express Download DB2 > Express C - the FREE version of DB2 express and take control > of your XML. No limits. Just data. Click to get it now. > http://sourceforge.net/powerbar/db2/ > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users |