On 10/07/2014 06:12 PM, Robert Hanson wrote:
Q: Does JSmol allow that an atom is part of more than one residue or
would this interfere with something?
Certainly an atom can only be in one residue. Each atom has a group
property that points to its residue.
Sorry, I should have posed the
Rolf,
Would it be possible without too much trouble and work to extend the
current group property by a grouplist property that would enable to
put an atom into multiple groupsand integrating this seamlessly into the
current group concept?
To me, that sounds exactly like setting a new,
On 10/08/2014 11:54 AM, Herráez Sánchez Ángel wrote:
Rolf,
Would it be possible without too much trouble and work to extend the
current group property by a grouplist property that would enable to
put an atom into multiple groupsand integrating this seamlessly into the
current group concept?
On 10/08/2014 02:11 PM, Robert Hanson wrote:
Groups are at the core of Jmol for PDB files, which are among the largest
(slowest to process). They are key to all processing, including rendering.
The idea of going from a one-group simple pointer method to a
multi-group look-up table for
On 10/06/2014 08:38 PM, Robert Hanson wrote:
Probably not. I didn't realize we were talking about quite so many nodes.
Still, the UFF field is interesting because it might work with any geometry
-- leaving angles out all together. We might have to add something to get
it to ignore certain
Hi Rolf
This is interesting but not what I can really discuss about, but I'd
contribute one or two hints:
One really nice thing (I've seen it in other tree viewers) would be
the ability for the user to pull a node and have the whole thing
rearrange dynamically. That's a force field and Jmol
On 10/07/2014 04:50 PM, Angel Herráez wrote:
Hi Rolf
This is interesting but not what I can really discuss about, but I'd
contribute one or two hints:
One really nice thing (I've seen it in other tree viewers) would be
the ability for the user to pull a node and have the whole thing
Hi developers,
I am in the brainstorming phase for a possible use of JSmol as an
interactive 3D network viewer.
In April 2008 there was a thread on the 'jmol-users' list (Hub and
Non-Hub) where this kind of application was described to some extent by
Joe Ivanic. Although it is not a
On Mon, Oct 6, 2014 at 6:32 AM, Rolf Huehne rhue...@fli-leibniz.de wrote:
Hi developers,
Q: I was wondering if it might be possible to achieve this by tuning the
'minimize' command with some extra parameters or maybe by enabling to
define a custom 'minimize' function?
I think if
On 10/06/2014 02:22 PM, Robert Hanson wrote:
On Mon, Oct 6, 2014 at 6:32 AM, Rolf Huehne rhue...@fli-leibniz.de wrote:
Hi developers,
Q: I was wondering if it might be possible to achieve this by tuning the
'minimize' command with some extra parameters or maybe by enabling to
Probably not. I didn't realize we were talking about quite so many nodes.
Still, the UFF field is interesting because it might work with any geometry
-- leaving angles out all together. We might have to add something to get
it to ignore certain energy components. Angles and dihedrals, for
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