12 Jan
2007
12 Jan
'07
2:30 p.m.
Hi Elaine, I agree it would be nice to add to Unit Cell. But that is a bigger project. I do not know how many unit cells Brady wants. It could be a million atoms. The script I sent him only makes one PDB model and moves it around so the script will not run into memory limitations. Miguel Ortiz-Lombardia sent email replying to the crystal coordinates email (but not to chimera-users, ugh) saying he wants all asym units within a specific radius. A more common need I think is a all asym units that make contact with a specified distance. So much to do and so little time. Tom