[MMTK] is MMTK a superset of MDTools?

Konrad Hinsen hinsen@cnrs-orleans.fr
Mon, 14 Jun 1999 10:34:42 +0200


> I wonder whether MMTK can do everything MDTools
> 
> 	http://www.ks.uiuc.edu/~jim/mdtools/ 
> 
> does, or whether some functionality is missing.

I have never looked at MDTools in detail; it seems that it is no
longer maintained (the current version is dated 1996). As I understand
it, it is a set of Python tools for working with X-Plor and NAMD,
whereas MMTK is an independent library.

Judging from the feature list that you posted, the only MDTools
feature missing in MMTK is reading PSF files and NAMD output files.
MMT does, however, read and write DCD files (the trajectory format
used by X-Plor and CHARMM).

Konrad.
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