dear dac thanks for your attention.
pdb file i try to use is 3BEF. it's a thrombine molecule in complex with
par-1.
And respect to your observations, I think that yes, the first residue is
something like 1A, 1B, etc.
Please could you help me how can i edit my pdb file?
I tried to use antechamber but it give many errors.
thanks in advance.
regards
El 16/10/2012 20:28, "David A Case" <case.biomaps.rutgers.edu> escribió:
> On Tue, Oct 16, 2012, Carlos Romero wrote:
>
> > but yes i downloaded it from pdb.org.
>
> It's pretty unusual to see this in files from this site. What is the PDB
> ID?
> Did you edit the file before giving it to LEaP?
>
> > > > When I use tleap in order to load my protein, there are warnings
> that
> > > say:
> > > >
> > > > Warning: name change in pdb file residue 1 ;
> > > > this residue is split into SER and GLU.
>
> Take a look at the residue numbers at the beginning of the ATOM cards...
> LEaP thinks that residue "1" consists of several residues (GLU, TYR, GLN,
> THR,
> etc.). Sounds like the residue *numbers* are mixed up...are there things
> like residue 1A, 1B, etc?
>
> ....dac
>
>
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Received on Tue Oct 16 2012 - 22:30:02 PDT
