From: Brian Radak (bradak_at_anl.gov)
Date: Thu Mar 31 2016 - 10:20:42 CDT
So is the whole process of producing features strictly via Tcl
considered deprecated in preference for Tcl commands implemented via
C++? It would seem that composition of existing Tcl commands would
provide a very flexible and powerful interface - I was wondering why
this seems so underutilized.
On 03/31/2016 10:17 AM, Giacomo Fiorin wrote:
> Hello Brian, in NAMD there are very few "packages" in the Tcl sense,
> i.e. those that you can load via "package require ...".
>
> The Tcl version of ABF (found under lib/) has now been superseded by
> the implementation provided by the colvars module.
>
> However, because most NAMD features come with at least one callable
> Tcl procedure, you can test for the presence of that procedure through
> "info".
>
> On Thu, Mar 31, 2016 at 11:11 AM, Brian Radak <bradak_at_anl.gov
> <mailto:bradak_at_anl.gov>> wrote:
>
> I am looking for instructions/help on how to make NAMD aware of
> new Tcl extensions (e.g. like ABF). I cannot seem to find anything
> online or via Google. Presumably this begins with making a package
> within the "lib" folder, but I cannot seem to reverse-engineer the
> procedure from there.
>
> Suggestions?
> Brian
>
> --
> Brian Radak
> Postdoctoral Appointee
> Leadership Computing Facility
> Argonne National Laboratory
>
> 9700 South Cass Avenue, Bldg. 240
> Argonne, IL 60439-4854
> (630) 252-8643 <tel:%28630%29%20252-8643>
> brian.radak_at_anl.gov <mailto:brian.radak_at_anl.gov>
>
>
>
>
> --
> Giacomo Fiorin
> Assistant Professor of Research
> Institute for Computational Molecular Science (ICMS)
> College of Science and Technology, Temple University
> 1925 North 12th Street (035-07), Room 704D
> Philadelphia, PA 19122-1801
> Phone: +1-215-204-4213
>
> Scholar: http://goo.gl/Q3TBQU
> Personal: http://giacomofiorin.github.io/
> Lab page: https://icms.cst.temple.edu/members.html
>
> /"As computer programmers we have a responsibility to make sure that
> we run the computers instead of the computers running us."/ - Steve
> Oualline
>
>
-- Brian Radak Postdoctoral Appointee Leadership Computing Facility Argonne National Laboratory 9700 South Cass Avenue, Bldg. 240 Argonne, IL 60439-4854 (630) 252-8643 brian.radak_at_anl.gov
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