Re: [PyMOL] Obtaining accurate FASTA sequence from PDBs

2014-04-14 Thread Thomas Holder
Hi Kelvin, that "fasta" command right now only dumps the sequence to the log window, it doesn't return or save the sequence to a file. This is probably because for my use case it was always sufficient to copy and paste the sequence from the log window. However, it's not too difficult to improve

Re: [PyMOL] Obtaining accurate FASTA sequence from PDBs

2014-03-31 Thread Thomas Holder
Hi Kelvin, the "psico" module provides a "fasta" command which maintains the gaps. However, psico will not work with PyMOL 0.99 which is quite old and uses an ancient Python version (psico requires Python 2.6 and and the PyMOL 1.2 API). Psico installations instructions and download link: http:/

Re: [PyMOL] Obtaining accurate FASTA sequence from PDBs

2014-03-31 Thread Edward A. Berry
Due to the possibility of insertion codes and non-sequential residue numbering, I believe there is no way to avoid aligning the residues in the ATOM records with the sequence in SEQRES in order to find gaps. I don't know of a program to do this. The structure validation server at RCSB ADIT2 makes t

[PyMOL] Obtaining accurate FASTA sequence from PDBs

2014-03-31 Thread Kelvin Luther
Hello, I am using PyMOL 0.99rc6. I am wondering if there is a means to obtain a FASTA sequence from a loaded pdb file that maintains the gaps due to missing portions of the structure? I found one program that will strip the sequence from pdb files, but it simply reads out the amino acids tha