Hi Remo!!
Welcome to the list, as far as I know:
- Yes you can use a NMR file, but I understand that modeller will use only
the first structure in your PDB that meets the specifications of your
Alignment file (on the 2nd line, where it says something like:
structureX:1fdx:1 : :54 : :ferredoxin:Peptococcus aerogenes:
2.00:-1.00 )
- You can use NMRClust to find how many conformationally related subfamilies
you have on your PDB, this program also finds the most representative
structure for each subfamily.
- I know this could be obvious, but Have you looked at your PDB??? Usually,
the PDB files for NMR structures tells you if there is a representative
structure for the whole ensamble and to what model correspond (Look at the
end of the "REMARK 210" ) on your PDB header.
Hope this helps,
Good luck,
Ludwig
-----Mensaje original-----
De:
[">mailto:] En nombre de remo
Enviado el: Lunes, 27 de Septiembre de 2004 11:28
Para:
Asunto: [modeller_usage] use NMR as template
hi i'm Remo and i'm new with modeller...
i'd like to know if :
- is possible to use an NMR file with 24 structures as template
- how to make in any way an averaged structure and then use this one as
template
- there are some useful tricks to handle NMR structures
i hope in your help
--