Dear Bob,
Here are three possible bugs (minor ones).
ITEM ONE:
"select %a" fails to select altloc="a".
"select %A" succeeds.
I report this "in case" it is a bug.
Jmol Aug 13:
$ print _version
1403016
$ load =1bsz
HYDROLASE 01-SEP-98 1BSZ
PEPTIDE DEFORMYLASE AS FE2+ CONTAINING FORM (NATIVE) IN COMPLE
INHIBITOR POLYETHYLENE GLYCOL
found biomolecule 1: A
found biomolecule 2: B
found biomolecule 3: C
$ select altloc="A"
74 atoms selected
$ select altloc="a"
74 atoms selected
$ select %A
74 atoms selected
$ select %a
0 atoms selected
$
ITEM TWO:
The doc, under Atom Expressions,
under " RasMol biomolecular residue specifications"
says:
%altLoc %1 %A %?
Either the doc needs revision, or %? is not working (should be same as
"not %" I think)
$ select %?
script compiler ERROR: invalid model specification
----
select %? <<<<
$ select %*
4430 atoms selected
$ select all
4430 atoms selected
$ select %
4272 atoms selected
$ select not %
158 atoms selected
$ print 4272 + 158
4430
ITEM THREE:
Note that the first line of the PDB TITLE field is truncated in the
above report following the load command. Here are the first 3 lines of
the PDB file with the lost portion in red:
HEADER HYDROLASE 01-SEP-98 1BSZ
TITLE PEPTIDE DEFORMYLASE AS FE2+ CONTAINING FORM (NATIVE) IN
COMPLEX WITH
TITLE 2 INHIBITOR POLYETHYLENE GLYCOL
Best regards, Eric
------------------------------------------------------------------------------
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
