Miguel wrote:
Scott wrote,
Hi Miguel,
I contacted you a bit ago re: a new feature request to
add models to an existing set of one or more models.
[snip]
I'm hopeful that you'll see the potential utility of a built
in function and raise the
priority of adding an 'appendModel' method.
Scott,
Nico has been continuing to work on trying to support multiple models. It
is a non-trivial problem.
Scott, if you're interested in the 'appendModel' method having a higher
priority, you can help.
As Miguel said, I have started working on the support of multiple models.
I have committed in CVS a draft of the 'load' method with several files
at once.
Currently, only atoms are done (bonds are done by the auto-bonding
feature, other structures are not done).
To help me on this work, you can :
- get the latest version from the CVS repository and compile it on your
own machine
- test the new load method: load "modelName" "filename1" ... "filenameN"
- give feedback on this new function (remember that only atoms are
currently really supported)
- provide simple sample files for me to test the addition of the other
elements (bonds, structures, ...)
I don't really have a background in chemistry, so the samples should be
easy to use.
The loading of multiple models is the first step for the 'appendModel'
method.
I will add it when multiple models are handled correctly.
So, do you want to spend some time helping me ?
Others are also welcome to help ;)
In my case, at the present time I am continuing to work on solvent
accessible surface rendering and am unable to focus on any other
challenging piece of work.
Great job so far for what I have seen :)
I won't have much time either to work on the multiple models, so help
from other people will speed up the development.
Nicolas
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