Thank you for clarification and the fix of the problem.
PM
On 8/5/2014 8:37 AM, Robert Hanson wrote:
It's a bug. Three issues there.
First, the CONTACT command has a bug that makes it only work on the
first model.
Second, you probably should be issuing
mySet1={1.6 & _H}; mySet2={1.6 &
It's a bug. Three issues there.
First, the CONTACT command has a bug that makes it only work on the first
model.
Second, you probably should be issuing
mySet1={1.6 & _H}; mySet2={1.6 & _H}; contact* model 1.6 *150% {mySet1}
{mySet2}
to display the contact in the proper model.
Third, CONTACT wa
I still have problems with "contact" when using butane file containing
20 models (rotamers around the central C-C bond).
Separately, one frame (say gauche) shows contacts fine: contact 100%
{_H} {_H}, (net volume 0.14 A^3), but when that frame is a part (frame
6) of the collection,
something l
Oh, sure. But it's generally designed to ignore intramolecular contacts.
contact {atomset1} {atomset2}
and if {atomset2} is not present, then "same model and not atomset1" is the
default.
You can do intramolecular clashes by specifying two distinct intramolecular
atom sets.
For example:
$ load
Can "contact" command be used to visualize "clashes" in small molecules
(such as eclipsed CH3/CH3 in butane, for example)?
What would the full command look like?
Thanks,
PM
--
Is your legacy SCM system holding you
You mean so that you see only non-clash contacts?
You can do this:
contact HBOND
Those aren't clashes.
On Fri, Jun 29, 2012 at 6:49 AM, Pascal Auffinger <
p.auffin...@ibmc-cnrs.unistra.fr> wrote:
> Hi,
>
> Is there a way to set contact clash ON or OFF though set contact ON; set
> contact
Hi,
Is there a way to set contact clash ON or OFF though set contact ON; set
contact OFF ?
Thanks for your reply,
Pascal
-
Pascal Auffinger
IBMC/CNRS
15 rue René Descartes
67084 Strasbourg Cedex
p.auffin...@ibmc-cnrs.unistra.fr
-
-
: *Robert Hanson
> *Objet : **Rép : [Jmol-users] contact command*
> *Date : *26 juin 2012 19:33:26 HAEC
> *À : *jmol-users@lists.sourceforge.net
> *Répondre à : *jmol-users@lists.sourceforge.net
>
>
> Great!
>
> What version of Jmol are you using?
>
>
> O
Well its Jmol 12.2.22
Pascal
---
De : Robert Hanson
Objet : Rép : [Jmol-users] contact command
Date : 26 juin 2012 19:33:26 HAEC
À : jmol-users@lists.sourceforge.net
Répondre à : jmol-users@lists.sourceforge.net
Great!
What version of Jmol are you using?
On Tue, Jun 26, 2012 at 10:41 AM
Great!
What version of Jmol are you using?
On Tue, Jun 26, 2012 at 10:41 AM, Pascal Auffinger <
p.auffin...@ibmc-cnrs.unistra.fr> wrote:
> Dear All,
>
> I would like to draw contacts between a residue and what is shown in the
> applet. This command does not seem to work for me. Anything wrong ?
Dear All,
I would like to draw contacts between a residue and what is shown in the
applet. This command does not seem to work for me. Anything wrong ?
jmolCheckbox('contact {~res} {visible} clash','','Clashes
','','miniApplet_clashes','Show/hide clashes');
Thanks for help,
Pascal
-
Pasca
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