I'll go submit the bug. Out of curiosity, what do you mean by it wouldn't
happen in normal analysis? If I were to create a real set of data with a
different PDB, I won't have the problem?
Thanks. I've assigned the bug to myself and hopefully have a fix
soon. I think the problem has something to do with the data
containing two residues, the first having no data associated with it.
By placing the number 1 in the 'unresolved' file the problem goes
away. Normally the relaxation data and error for that residue would
both be set to 'None' if relax was used to calculate the values. I've
just made it a bit different for the test-suite. Hence the reason why
no one has encountered this bug before, it's only in that relax test
data that the problem occurs. If you were to do a full analysis using
relax then the R1, R2, and NOE input files will be formatted in such a
way that the bug will not be encountered.
And then with the relax name, I think you were referring to one of my
directory names in the bug description. I had installed relax in a
directory that I had already created (for relaxation analysis programs in
general). Is the concern that any updates I potentially send would have the
capital R instead? If so, I'll definitely be sure to move things. I hope I
didn't offend.
No, no, it didn't offend at all, I was just making sure you were aware
of the convention. Oh, you may like to turn your signature at the end
of your mails off if you don't want everyone on the list getting your
personal details.
Edward
Re: Trouble with sample scripts