Jmol Code

bob200603

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

Fah

bob200603

-adds String[] and float[] capability for property manager JSON conversion

bob200603

adds: color unitcell
modifies: select within(molecule,expression) to behave properly.

Fah

bob200603 for crystallography:

adds

within(molecule, expression)

not quite perfect -- only returns the molecule of the FIRST atom in the expression.

bob200603

-addition of

set picking molecule

-some fixing up after addition of the connect changes.

fix for halos not rendering properly when wireframe == 0.

bob200603 only
--aligns connect and hbond calculate commands with 10.2
--introduces set displayCellParameters ON/OFF
--introduces set axesUnitCell ON/OFF
--changes set axesInternal to set axesMolecular ON/OFF
--Uses Rich Ball (Merck) algorithm for translating symmetry-derived atoms as molecular groups
--Adds default crystallographic style

--almost perfect agreement now with Mercury
--kuds0105a.ccdc.cif alignment in unit cell would require knowledge of independent molecules.

[Sorry for all the files; most of this is hbonds with the bitset stuff Miguel introduced in association with connect.
I forgot to commit earlier]

Fah