Jmol Code

r4818 after rollback

r4649 before sluggishness

private branch for pfaat integration

bob200603

-adding in other file readers -- PDB, MOL
-needs testing with SHELX and CML

bob200603

major clean up of unit cell business. It is now all in model-specific
data structures -- cellInfo[modelIndex] -- with none in file-specific
structures. The only piece not there is the piece that was broken in the
first place -- the pdbScale business. I'm just leaving this because, basically,
I think probably nobody cares. All it would do anyway is all ow the display of the
unit cell for a macromolecule when the CRYST1 line is missing. Is it EVER?

When it comes time to put this in the main branch, the easiest thing to do will be just
to clip out the new class CellInfo and zip it right in.

Bob

bob200603

-refines color molecule
-adds show measurements and refines getproperty measurementInfo
-moves label %X to %D (atom index)
-creates label %N for molecule number


-adjustments for set defaultLattice in conjunction with loadInline.
-for XTLX Crystal Explorer http://www.stolaf.edu/people/hansonr/jmol/xtalx

rollback of zbuffer to int[]

temporarily check in of 'revert z-buffer from ints back to shorts'

bob200603

-adjustments for set defaultLattice in conjunction with loadInline.
-for XTLX Crystal Explorer http://www.stolaf.edu/people/hansonr/jmol/xtalx

bob200603

-adds set defaultLattice {a,b,c} or just set defaultLattice n
-fixes(?) bug in display of boundbox and unitcell when mad = 1?