[Jmol-users] another crash (12.0.11)

2010-09-05 Thread Eric Martz
Dear Bob, The following 2 commands crash Jmol 12.0.11: load 1dlh.pdb.gz color structure The crash occurs with 1dlh.pdb.gz or 1dlh.pdb (as received from the PDB) but NOT with e.g. 1d66.pdb, 1pgb.pdb.gz, 2vaa.pdb.gz. So it seems to be related to something specific in 1dlh.pdb. Here's a clue: the

Re: [Jmol-users] another crash (12.0.11)

2010-09-05 Thread Robert Hanson
Jmol users: We need a suitable color for carbohydrate that meshes well with other STRUCTURE colors such as these: http://www.umass.edu/molvis/drums/codes.html Thanks, Bob On Sun, Sep 5, 2010 at 1:48 PM, Eric Martz wrote: > Dear Bob, > > The following 2 commands crash Jmol 12.0.11: > > load 1d

Re: [Jmol-users] Spartan Partial Charges

2010-09-05 Thread Robert Hanson
yeah, it's easy. It will be load "xxx.spartan" filter "charge=ESP" ...ok, that's done for Jmol 12.1.10. Bob On Sat, Sep 4, 2010 at 11:17 PM, Otis Rothenberger wrote: > Bob, > > I figured out how to pass the set of partial charges to a model, but > this called my attention to another point. Wh

Re: [Jmol-users] Spartan Partial Charges

2010-09-05 Thread Robert Hanson
Wait, no, it's: load "xxx.spartan" filter "ESPCHARGES" On Sun, Sep 5, 2010 at 8:34 PM, Robert Hanson wrote: > yeah, it's easy. It will be > > load "xxx.spartan" filter "charge=ESP" > > ...ok, that's done for Jmol 12.1.10. > > Bob > > > On Sat, Sep 4, 2010 at 11:17 PM, Otis Rothenberger > wr

Re: [Jmol-users] True Jmol Depict Jmol to JME

2010-09-05 Thread Robert Hanson
On Sat, Sep 4, 2010 at 9:02 PM, Otis Rothenberger wrote: > Bob, > > The image file (gif) loads directly to any page using an image tag with the > Resolver's url as the image src. Although it's dynamically generated from > the query string, ii's simply a gif image. Anyone can load it. No problem.

Re: [Jmol-users] DOCUMENTATION: Dots

2010-09-05 Thread Robert Hanson
thanks. I've added direct pointers -- will upload soon. On Mon, Aug 30, 2010 at 5:22 PM, Eric Martz wrote: > Dear Bob, > > The Dots section of the manual does not refer to "set (misc)", but > that contains many of the Dots settings. > > In addition to listing "set (misc)" under "See also", I thin

Re: [Jmol-users] Spartan Partial Charges

2010-09-05 Thread Robert Hanson
see http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol_12.zip On Sun, Sep 5, 2010 at 8:34 PM, Robert Hanson wrote: > Wait, no, it's: > > > load "xxx.spartan" filter "ESPCHARGES" > > > > > On Sun, Sep 5, 2010 at 8:34 PM, Robert Hanson wrote: > >> yeah, it's easy. It will be >> >> load "xxx.s

Re: [Jmol-users] another crash (12.0.11)

2010-09-05 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol_12.zip On Sun, Sep 5, 2010 at 1:48 PM, Eric Martz wrote: > Dear Bob, > > The following 2 commands crash Jmol 12.0.11: > > load 1dlh.pdb.gz > color structure > > The crash occurs with 1dlh.pdb.gz or 1dlh.pdb (as received from the PDB) > but NOT

Re: [Jmol-users] reset newly stops spinning

2010-09-05 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol_12.zip On Sat, Sep 4, 2010 at 4:20 PM, Eric Martz wrote: > In 11.6, reset did not stop spinning. In 12.0.11 it does. > > I often want to reset the orientation and zoom, e.g. as part of > playing back the "show orientation" report. My present s

Re: [Jmol-users] another crash (12.0.11)

2010-09-05 Thread Michael Evans
Hmm, might I suggest an orange-ish color, maybe something akin to #ffa500? Orange is about the farthest color away from the colors that already exist in that scheme right now. My second place vote goes to a deep navy blue. Now for the real reason for my e-mail: I want to make sure I understand "wr