On Fri, Feb 1, 2013 at 4:42 PM, Richard Walsh richard.wa...@csi.cuny.eduwrote:
After a frustrating day of trying to install everything required
for Avogadro 1.1.0 (Babel, Eigen, Qt, cmake, wxWidgets) on
a CentOS 5.8 system (although with no issues specific to CentOS)
I am wondering if there
On Fri, Feb 1, 2013 at 5:40 PM, Xing xi...@pitt.edu wrote:
Dear all,
The attached pdbs are two identical files from Protein Data Bank. The one
with the original name 2K4G.pdb will cause Avogadro 1.1.0 to crash (see
2K4G.log) and just changing the name from 2K4G.pdb to 2K4G_avo.pdb will
prevent
On Sun, Feb 3, 2013 at 10:26 AM, Xing Yin xi...@pitt.edu wrote:
Wow, I do have 2K4G.aux (generated by MOPAC2012) in the same directory
as 2K4G.pdb. Once I copy 2K4G.pdb into a new folder, it can be read by
Avogadro 1.1.0 without a problem just like 2K4G_avo.pdb. Simply symlink
2K4G.pdb to
This patch should fix it in the next release:
http://review.source.kitware.com/#/t/2057/
Thanks for the report!
Dave
On Sun, Feb 3, 2013 at 11:01 AM, Xing Yin xi...@pitt.edu wrote:
It's attached in my previous reply. Here it is again. ;)
Sincerely yours
Xing Yin
Department of
Yeah, OpenSUSE is much easier for me. I have some experience with OBS so
I checked out the package, applied the patch and built it locally (and
online). It works great now! :)
Thanks so much!
Sincerely yours
Xing Yin
Department of Chemistry, Univ Pittsburgh
G-3 Chevron Science Center
219
Is it possible for me to turn off the ring perception without hacking the
code and building my own version?
You can use File-Import-Molecule File and turn of bond order perception.
Then when you load a file, it will only give you single bonds.
This is clearly a bad Open Babel bug, so I'll
On 4 February 2013 02:42, Geoffrey Hutchison geoff.hutchi...@gmail.comwrote:
Is it possible for me to turn off the ring perception without hacking
the code and building my own version?
You can use File-Import-Molecule File and turn of bond order
perception. Then when you load a file, it
