Dear Sir
if we load single peptoid residues by antechamber and then try to load sequence by leap, leap window closes automatically ant the terminal giver a error.
Regards
"David A. Case" <case.scripps.edu> wrote: On Mon, Oct 16, 2006, priya priya wrote:
>
> When I use antechamber to load a peptoid sequence
> (peptoids have the amino acid side chain appended to
> amide nitrogen ratther then alpha carbon) containing
> charged residues (like lysine). it says "ODD NUMBER OF
> ELECTRONS"....Check!
>
> There are three lysine residues and the total number of electrons come out
> to be 834 but antechamber is taking 837 number of electrons (not
> considering the +3 charge of the three lysine residues.
You have to explicitly tell antechamber the net charge using the "-nc" flag.
The default is zero.
Note also that antehcamber is designed to handle a *single* residue at a time,
not multiple residules as you seem to be trying.
...good luck...dac
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Received on Wed Oct 18 2006 - 06:07:23 PDT
