Re: [AMBER] :How to get 1PLC_mod.pdb from 1PLC.pdb [TUTORIAL A1 - SECTION 1]

From: case <case.biomaps.rutgers.edu>
Date: Tue, 17 Jan 2012 21:14:10 -0500

On Tue, Jan 17, 2012, Mahendra B Thapa wrote:
>
> In AMBER11 XLEaP Universal Editor, I use the following command:
> 1PLC_mod = loadpdb " 1PLC.pdb"
> At the end of the editor, I got the message as
> total atoms in file:1656
> Leap added 341 missing atoms according to residue templates:
> 341 H / lone pairs
> The file contained 122 atoms not in residue templates

So far so good.

> When I command edit 1PLC.pdb, XLeaP unit editor displayed nothing.

The proper command is "edit 1PLC_mod": you edit the unit name, not the pdb
filename. Use the LIST command to display the units that are loaded...those
are the things you can edit.

[Arguably, xleap should give a better error message...]

...hope this helps...dac


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Received on Tue Jan 17 2012 - 18:30:02 PST
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