On 24/06/13 14:13, Alan Cheung wrote:
> Dear All - How does coot assign secondary structure? It seems
> different from DSSP and pymol.
It uses mmdb's CalcSecStructure() function (which was written by Liz
Potterton, I believe).
> I text searched the manual but couldn't find anything about it...
I didn't finish the interface properly :-/
>
> More importantly, can coot output its secondary structure assignments
> into PDB records?
>
>
>
No. Should be trivial to add though (not that that's much help ATM).
FYI, here's what's in the source code:
/* Placeholder only.
not documented, it doesn't work yet, because CalcSecStructure()
creates SS type on the residues, it does not build and store
CHelix, CStrand, CSheet records. */
void write_header_secondary_structure_info(int imol, const char *file_name);
Paul.
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