Program for H-bond prediction?

Miri Hirshberg m-hirshb at
Mon Aug 18 10:58:47 EST 1997

there are many packages to calculate Hbonds. To name a few

act - part of CCP4
naomi -
hbplus - I K Mcdonald, D T Jones, D Naylor and J M Thornton 1993
       - mcdonald at
m-hirshb at

>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!
>Lena Nekludova          | HHMI/MIT, Pabo Lab        | (617) 258-5881
>Scientific programmer   | 68-580, Dept of Biology   | lena at
>                        | Cambridge, MA, 02139      |

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