.
>
> So this new ligand code search feature will be available in Phenix Gui?
> Look forward to it.
>
> Thanks,
> Sze Yi
>
>
>
>
> From: Nigel Moriarty
> Reply-To: Nigel Moriarty
> Date: Sunday, 7 June 2015 11:18 pm
> To: "CCP4BB@JISCMAIL.AC.UK"
riarty mailto:nwmoria...@lbl.gov>>
Date: Sunday, 7 June 2015 11:18 pm
To: "CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>"
mailto:CCP4BB@JISCMAIL.AC.UK>>
Subject: Re: [ccp4bb] New ligand 3-letter code
Ed
Thanks for the feature request. I will be available
Ed
Thanks for the feature request. I will be available in the next nightly
build.
nigel% elbow.get_new_ligand_code "A?3"
Unique ligand code : AV3
Cheers
Nigel
---
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
P
Neat! It's true the PDB will choose a unique code for you,
but they will use what you supply if it is already unique,
and it is nice to be able to choose something that can help
you remember what it stands for.
Gone are the days when we could choose meaningfull pdb ID's
(like 1PRC, 2PRC, 3PRC etc
I wrote something a while ago the finds an unused code.
> % elbow.get_new_ligand_code
Unique ligand code : 7V8
> % elbow.get_new_ligand_code A
Unique ligand code : A6E
Cheers
Nigel
---
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Be
I use any 3 letter/number code that i want. If you read the corresponding
cif file into coot it is used in preference to any in the library. The PDB
deposition team will assign a code if it is a new ligand to the database.
Could you relay this to original poster?
Thanks
Jim Brannigan
On 5 June
