Program for H-bond prediction?
Miri Hirshberg
m-hirshb at anika.nimr.mrc.ac.uk
Mon Aug 18 10:58:47 EST 1997
there are many packages to calculate Hbonds. To name a few
act - part of CCP4
naomi - http://www.ocms.ox.ac.uk/~smb/Software/N_details/naomi.htmls:
hbplus - I K Mcdonald, D T Jones, D Naylor and J M Thornton 1993
- mcdonald at uk.ac.ucl.bsm.bioc.bsm
Miri
m-hirshb at anika.nimr.mrc.ac.uk
>Dear fellow X-plorer
>I consider writing a program that lists all (possible) (non-water-mediated)
>hydrogen bonds, based on coordinates of a crystal structure.
>Before starting this project, i want to make sure that i am not re-inventing
>the bicycle.
>Does anyone know of a similar program, either shareware or low-cost?
>(This question is not directly Xplor-related; but i cannot think
>of a better group of people to address it to ...)
>Thanks a lot!
>
>
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>Lena Nekludova | HHMI/MIT, Pabo Lab | (617) 258-5881
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> | Cambridge, MA, 02139 |
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