Note that new xplor-NIH energy terms can also be written in TCL. But
the speed of TCL code is
no better than Python, so, like Python, it should only be used to try
things out quickly, or
to implement very quick to compute energy terms.
--JK
On Aug 14, 2006, at 11:15 AM, [EMAIL PROTECTED] wrote:
This can be done by writing a new potential energy function. This
can be
written in Fortran, C++, or Python. For the Fortran or C++ interfaces
you will need access to the full source code. Potential terms
written in
Python should either be for development purposes, or computationally
quite inexpensive, as it's much slower than a compiled language.
Please
contact me for further details.
best regards--
Charles
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