Jan said: >>We have been making good progress on support for unit cell rendering >> and representation. >> >> > I missed the command documentation. > How do I get from the asymmetric unit in the PDB file to the > unit-cell-s?
I apologize for the confusion. This functionality does not exist yet. Egon and I are just beginning to work on it. > build symmetry > built crystallographic symmetry as defined in CRYST1 for the whole > "molecule"= PDB file > build selected symmetry > the same but only for selection > > build selected (29.6 46.8 57.6) (90 90 90) P212121 explicit define > unit cell length and angel and space group > build selected (29.6 46.8 57.6) (90 90 90) P212121 "-x,1/2+y,1/2-z" > which of the transformations > > build selected [-1 0 0 0 0 0 -1 0 0 0 0 1 0 ] any matrix > I am sorry Jan ... I do not undestand what you are suggesting. Egon, can you help? >>Personally, I like 'unitcell' and 'supercell' >> >> > crystal We need *two* terms. One for one 'cell' and one for 'multiple cells' Are you suggesting 'crystal' for the 'multiple cell' version? What do you recommend for the single unit cell? Miguel ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
