Subject: format problem

From: Pierre Tran <[email-masked]>
Date: Thu, 19 Oct 2000 15:22:09 -0500

Hi all,

Is there a way to "map the atoms" of a pdb file of a crystal structure
taken from Brookhaven data bank and use it in InsightII and perform
minimization on it.
The program complained and did not recognise the structure, here is the
error message, when I tried to attribute the potentials  :

error: CRO:U8:C5' has open or undefined valences
error: CRO:U8:C4' has open or undefined valences
error: CRO:U8:C3' has open or undefined valences
error: CRO:U8:O3' has open or undefined valences
error: CRO:U8:C2' has open or undefined valences
error: CRO:U8:C1' has open or undefined valences
error: CRO:U8:N4 has open or undefined valences

I need a program which allows the protonation of the structure and make
it recognised by insightII and use it to perform minimization.

Thank you.

--
Pierre TRAN