AMBER Archive (2004)

Subject: Re: AMBER: residue insertion

From: David A. Case (case_at_scripps.edu)
Date: Thu Mar 11 2004 - 01:00:39 CST

On Wed, Mar 10, 2004, Yunfeng Hu wrote:

> Hi, leap does not seem to recognize the residue numbering such as 27,
> 27A, 27B... I wonder how to fix this. Thanks.

Someone would have to delve into the source code. A workaround is
to use unique numbers in your input files, e.g. change " 27A" to
" 127 ". When the residue number (in columns 23-26) changes, LEaP
knows to start a new residue. But it still won't keep the original
numbering scheme.

...good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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