Re: [AMBER] Xleap pdb editing

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 10 Nov 2011 11:18:46 -0500

On Thu, Nov 10, 2011, James Starlight wrote:
>
> 1- I've edit my reference by means of the param10 set. Before editing of my
> structure also I've edit some properties of ACE group ( I just rename atoms
> in that groups) but after saving my structure the names of atoms in ACE
> group were still unchanged. How I can rename atoms in different functional
> groups forever ? :)

This is not specific enough information. We need to know exactly what
sequence of commands you used to edit the atom names, what commands were used
to "save the structure", what you did to conclude that the atoms names were
unchanged.

[As an aside, why would you want to change the atom names of standard
residues? That is almost certainly going to lead to grief later on.]

>
> 2- My initial structure consisted of 2 identical alpha helices but after
> saving both of monomers were merged into one chain ( so from started pdb
> the string about chains A and B was deleted ). How to prevent this
> merging ? I want that my output structure will consist of 2 chains as an
> input one.

Put a TER card in the input pdb file between the two chains.

....dac


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Received on Thu Nov 10 2011 - 08:30:04 PST
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