[ccp4bb] Ligand insertion and orientation...

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: references for TLS refinement
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-05-09

Next message:
Subject: Re: Ligand insertion and orientation...
From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-09

Subject: Ligand insertion and orientation...
From: James Pauff pauffjm {- at -} YAHOO {- dot -} COM
Date: 2007-05-09

Good day all,

I have what may be a very simple question. I am
trying to insert a substrate/ligand into the active
site of my enzyme using COOT, into electron density
that I have already utilized in "O" for this purpose.
I've created the substrate library file (*.cif) using
a pdb file from PRODRG in the ccp4 sketcher. In COOT,
I went to File->Get Monomer..., but when I type the 3
letter code, I get nothing.

Further, I have imported the substrate as a separate
pdb file, and can move it close to the active site,
but I have no idea how to orient/manipulate the ligand
into the electron density. If I can eventually get
the ligand as a monomer into the screen, I still don't
know how to manipulate it's orientation prior to
writing it into the enzyme's pdb, so I guess that I'm
just generally stuck here.

Any help/suggestions/advice would be appreciated.
Thank you all for your time here.

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: references for TLS refinement
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-05-09

Next message:
Subject: Re: Ligand insertion and orientation...
From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-09