Jmol Code

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

Reverting the changes I submitted in r5022.

NOTE: Miguel I have been sending you emails from phdana@... that
I think you have not been receiving. I am so sorry for breaking the build like this.
Hopefully I have correctly reverted the changes. I am getting my pfizer email
fixed today but if you could please "authorize" email from phdana@...
that would help.

Fah

Fah

adds

set labelsFront TRUE/FALSE

-- always displays labels in front of any atoms.

bob200603 only -- totally experimental
--adds "show symmetry"

bob200603 only -- totally experimental
--allows cutting short CIF file reading after the desired model has loaded.

bob200603 only -- totally experimental
--introduces more flexible "specialstring2" for compiler
--introduces passing parameters to the file readers
--introduces CIF selective model file loading in multi-model file
--introduces CIF selective application of symmetry upon file load
--introduces CIF unit cell {na,nb,nc} options on loading

IGNORE IGNORE IGNORE -- bob200603 only --
--Boolean.TRUE/FALSE
--augments symmetry for "0.5" as well as "1/2"
--fixes partial business ala trunk 10.3