Okay, scratch that -- I fixed the problem, relying on "standard" Fortran unformatted IO conventions to automatically determine endianness and map size.
PyMOL should now be able to read a PHI map of any dimensionality, so long as record size is implicitly and correctly specified in the map file. This may or may not be the case for ".phi" files written from C (for example, "fld2phi" is hard-coded for a 65x65x65 map, because the data block's record length specifier is hardcoded to be 0x10c304 = 65*65*65*4). Can someone send me a PHI map which is not 65x65x65 for testing purposes? Please include the associated PDB file for visual verification. Thanks! Looks like we'll need to push out another release sooner rather than later... Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)-346-1154 Fax (650)-593-4020 > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users- > ad...@lists.sourceforge.net] On Behalf Of Warren L. DeLano > Sent: Wednesday, July 09, 2003 2:20 PM > To: 'EPF (Esben Peter Friis)'; 'Kaushik Raha '; 'Yu Chen ' > Cc: pymol-users@lists.sourceforge.net > Subject: RE: [PyMOL] Electrostatic potential maps in PyMOL > > Yes, you have identified the problem: PyMOL 0.90 currently only reads > PHI files in one of the two endian formats (not sure if it is big or > little). > > The problem is, how it PyMOL to determine which format the incoming map > is in? The file format is so darn implicit, I haven't yet come up with > any effective way of doing it without risking a floating exception on > finicky hardware. > > Any ideas? If we can just determine the "enddian-ness" of the incoming > file, then the rest is a snap. > > Warren > > -- > mailto:war...@delanoscientific.com > Warren L. DeLano, Ph.D. > Principal Scientist > DeLano Scientific LLC > Voice (650)-346-1154 > Fax (650)-593-4020 > > > > > > ------------------------------------------------------- > This SF.Net email sponsored by: Parasoft > Error proof Web apps, automate testing & more. > Download & eval WebKing and get a free book. > www.parasoft.com/bulletproofapps > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users
