whatever software is creating that PQR file is not putting the
information in the correct columns:
0 1 2 3 4 5 6 7
0123456789012345678901234567890123456789012345678901234567890123456789
0123456789
shame shame.
On Mon, Jun 25, 2012 at 11:03 AM, Daniel Aioanei aioan...@gmail.com wrote:
Thanks for looking into this issue. The pqr file I sent you was
created using Gromacs like this:
g_editconf -f drgfin_GMX.tpr -mead drgfin_GMX.pqr
On 25 June 2012 18:48, Robert Hanson hans...@stolaf.edu
OK, I'm writing a free-form reader. No chain ids ever for such a file?
On Mon, Jun 25, 2012 at 11:11 AM, Robert Hanson hans...@stolaf.edu wrote:
shame shame.
On Mon, Jun 25, 2012 at 11:03 AM, Daniel Aioanei aioan...@gmail.comwrote:
Thanks for looking into this issue. The pqr file I sent
anybody have specs for free format pqr files? Maybe just the APBS reader
code or PDB2PQR writing code for that specific task?
On Mon, Jun 25, 2012 at 11:22 AM, Robert Hanson hans...@stolaf.edu wrote:
OK, I'm writing a free-form reader. No chain ids ever for such a file?
On Mon, Jun 25, 2012
Thanks, Daniel!
THAT'S what I needed. Perfect. OK, Jmol 12.3.33 will read those files
without any need for pqr:: forcing.
see http://chemapps.stolaf.edu/jmol/Jmol-12.zip
please let me know how that works.
Bob
ps -- how does one pronounce Aioanei ?
On Mon, Jun 25, 2012 at 12:12 PM, Daniel
I have been getting some confusing results while trying to use the Load
@data method of loading. Jmol seems to be parsing | and newline
characters differently.
In the console application, this script command:
mod = '5 \n MolName22Jun2012180152 \n C -0.00025 -0.00025 -0.00025 \n C
0.64018
Bob,
I'm setting up some keystroke capture JavaScript to control page activity. I'm
placing the event capture function call in the body tag of the page, and this
works well until I click inside the applet. After an applet click, I must click
on a page link or inside a page field to reinitiate
With the .zip you pointed me to it behaves the same way like before,
at least if I execute it via java -jar Jmol.jar. But I performed an
svn update and after recompilation it works great. Thanks!
ps - The language in question is Romanian, which is rather phonetic
and you basically pronounce the
Makes sense, because Jmol traps keystrokes as well.
On Mon, Jun 25, 2012 at 2:31 PM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
I'm setting up some keystroke capture JavaScript to control page activity.
I'm placing the event capture function call in the body tag of the page,
and
James,
That actually makes reasonable sense.
On Mon, Jun 25, 2012 at 2:18 PM, James Wonsever jwonse...@lbl.gov wrote:
I have been getting some confusing results while trying to use the Load
@data method of loading. Jmol seems to be parsing | and newline
characters differently.
In the
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