Hi,
Sorry for not responding earlier, I've just been slowed down by minor
RSI issues. The residue names should not be necessary, and relax
ignores these in many cases so that a PDB file of a point mutant can
be used without problem. Actually, as long as the numbers in the PDB
and the data files matches it should be fine. If you do find a
problem with relax and missing res names, please report this as a bug!
For all user functions requiring sequence information (be that mol
name, res name or num, or spin name or num), just set the res_name_col
argument to None.
Regards,
Edward
On Thu, Oct 30, 2008 at 6:10 PM, Douglas Kojetin
<douglas.kojetin@xxxxxxxxx> wrote:
Hi All,
Is it necessary to have residues names (e.g. ALA) present in relax
input files, as the residue numbers should be sufficient to keep track
of the information? If it is not necessary, how can I configure the
full_analysis protocol/script (or others) to play nicely with input
files that do not contain residue names? The example input files seem
to suggest that residue name is necessary.
Thanks,
Doug
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Re: input files; residue name necessary?