[MMTK] how to set bond between tow atoms

Konrad Hinsen hinsen@cnrs-orleans.fr
29 May 2002 17:06:52 +0200

"fang hui" <fang_hui@seu.edu.cn> writes:

>     Hello. I use MMTK to do nucleic acid modelling. I want to set
>     bond between tow atoms( maybe N and H ). Is there any function
>     in MMTK to do it? If MMTK doesn't afford this function, could
>     you please tell me any other software or library which I can use
>     to do nucleic acid modelling including setting bond.

There are routines in MMTK that allow to make bonds, but they are
rather low-level, complicated to use, and not part of the documented
interface (i.e. theu might change in future versions). The standard
way of defining bonds is in database files (which may of course be
generated by Python code).

Could you explain what exactly you need this for?

Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
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