> One of the reasons I have stuck with OpenDX (www.opendx.org) for
> visualization for so long is the general (object-oriented) data
> model. It has its limitations, but it has proven very powerful.
> Users can define a wide variety of data in hierarchical forms.
Indeed. But this illustrates nicel
Gustavo Mercier writes:
> to the chemistry of a problem. In advanced undergraduate course, an
> instructor may wish to breakthrough the "black box". The scripting
*Should* wish to do so. Understanding what one is doing is the
difference between a scientist and a lab technician.
> this effort. U
On Thursday, December 12, 2002, at 11:31 PM, Konrad Hinsen wrote:
The question is whether the will exists to do this? Many of the
toolkits
On my side, yes.
As well as on mine (PyQuante).
Rick Muller
r...@wag.caltech.edu
http://wag.caltech.edu/home/rpm
On Friday, December 13, 2002, at 01:41 AM, Konrad Hinsen wrote:
As a suggestion, let's consider the chemistry implementation of XML
-- CML. Whatever the details of the object "molecule", it would be
beneficial to input and output to/from CML. A specification of
I don't agree. I looked at CML
> Thanks for the reminder about FSAtom. Maybe we should start a
> discussion somewhere about what needs to be included in either a common
> file format or a common interface.
That would be a good occasion to start real activity on the
FSAtom mailing list. Anyone can subscribe at
http://w
Anyone know how to increase the bond drawing cut-off? I'm trying to get
Pymol to draw bonds from the Fe to the N atoms in a heme group.
Thanks in advance,
Kristl
kri...@physics.purdue.edu
Kristl,
It may not be possible to switch PyMOL over to correctly recognizing
these bonds by default, but you should be able to use the "bond" command after
loading to manually create the bonds.
Cheers,
Warren
--
mailto:war...@sunesis.com
Warren L. DeLano, Ph.D.
Informatics Manager
S
> Konrad Hinsen wrote:
>
> Indeed. But this illustrates nicely a frequent problem faced by
> software designers: Software like OpenDX is powerful and flexible, but
> also huge and difficult to learn. A small specialized tool is easier
> to use for the specialized user. Of course those users then f
