I am recently started working with modeller .. and I have queries about it :-
1) It's written in the manual that the sequences should be in PIR format .. but for the template sequence I am not getting the second line , about the structure ?? from where I can get it ?? and whats the actual way for obtaining PIR sequences and with the structure details required as required for the template??
2)How to align the two sequences in PIR foramat .. since I aligned the sequences in FASTA format I am not getting the same structure given in the manual as an example ??
3) Where do I have to save the .pdb file of the template in modeller and the code that is given for homology modeling , there is nothing mentioned about the .pdb file being used ??
PLS HELP
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bharat lal wrote: > 1) It's written in the manual that the sequences should be in PIR format > .. but for the template sequence I am not getting the second line , > about the structure ?? from where I can get it ?? > and whats the actual way for obtaining PIR sequences and with the > structure details required as required for the template??
See http://salilab.org/modeller/9v7/manual/node445.html for a description of the alignment file format. When Modeller reads a template structure (one marked as structureX, for example, on the second line) it gets the corresponding PDB file to read also from the second line, immediately after the structureX: part. In the case at that URL, it reads the '5fd1' PDB file. It will automatically try adding ".pdb" to the end of the file name, but you can certainly put a full file name there if you want.
> 2)How to align the two sequences in PIR foramat .. since I aligned the > sequences in FASTA format I am not getting the same structure given in > the manual as an example ??
I don't understand this question - aligning sequences is independent of the file format you read or write them in.
> 3) Where do I have to save the .pdb file of the template in modeller and > the code that is given for homology modeling , there is nothing > mentioned about the .pdb file being used ??
I think this should be covered above. You can put your PDB files in the same directory as your script and alignment file, or you can set env.io.atom_files_directory to a list of other directories to look in for PDB files. See the many examples in the manual.
Ben Webb, Modeller Caretaker
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bharat lal
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Modeller Caretaker