Using only partial information for the model
Dear colleagues,
I'm willing to use modeller in a specific modelling procedure where only specific parts of the model are wanted.
In fact, i have two beta sheets and two helices in the pdb template, and there are linked via loops.
I would like to know the procedure i need to follow in order to model only those subparts of the system (and use modloop for the linking part).
For instance this will be for the alignment: >template; structureX:18:A 63:A ::: XYZXYZ-----AAAAALLL----BBBBBLLL---AAAAALLLLL--BBBBBLLL-------* >target; sequence:1::::: ------CCCCCAAAAA---CCCCBBBBB---CCCAAAAA-----CCBBBBB---CCCCCCC*
The matching sections are 'A' (alpha) and 'B' (beta), other letters being for illustration.
The template pdb contains all the coordinates for the important structures, but not for loop LLLLL (third one).
Do i need to adjust the alignment or the python script (or both)? I've searched through the archives and tutorials without clue, i'm probably not getting all the process properly.
Thanks a lot in advance,
Stéphane
Stéphane Téletchéa wrote: > I'm willing to use modeller in a specific modelling procedure where only > specific parts of the model are wanted. > > In fact, i have two beta sheets and two helices in the pdb template, and > there are linked via loops. > > I would like to know the procedure i need to follow in order to model > only those subparts of the system (and use modloop for the linking part).
I'm not sure I quite follow what you want to do, but you can certainly build a model for only part of a sequence - just list only the sequence you want to model as the target in your alignment file. But for the loops you may as well model them anyway (you can always override select_atoms to instruct Modeller not to bother to optimize them) since ModLoop needs starting coordinates for the loop regions.
Ben Webb, Modeller Caretaker
participants (2)
-
Modeller Caretaker
-
Stéphane Téletchéa