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 > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.3 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8 <http:// > mailcrypt.sourceforge.net/> > > iD8DBQFE4JOHPK2zrJwS/lYRAqluAJ4hWhe+7wiVTJ1rQjAduY665F1QYACfS488 > CMRt8BzE0esVkss5W2MH3aE= > =Evbt > -----END PGP SIGNATURE----- > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
