Eigenstate/dabble

issue with renaming residue

Closed this issue · 1 comments

nlatorra commented

Hi Robin,

It looks like I'm having trouble getting Dabble to rename a residue (SEP, in my maestro file) for which I know there exists a correct name (SP1) in the top_all36_prot.rtf file. I seem to be stuck in a bit of a loop. Should I just fix the name in my maestro file?

Thanks so much:

-- Dabble error --

WARNING: Found non-protein residues in protein...
Finding residue name SEP

ERROR: Residue name SEP wasn't found in any input topology. Would you like to rename it?

New residue name or CTRL+D to quit > SP1
Finding residue name SEP

ERROR: Residue name SEP wasn't found in any input topology. Would you like to rename it?

Eigenstate commented

For a quick fix just rename it in Maestro. I'll fix the bug when I'm back
on Monday
On Oct 3, 2015 6:11 PM, "nlatorra" notifications@github.com wrote:

Hi Robin,

It looks like I'm having trouble getting Dabble to rename a residue (SEP,
in my maestro file) for which I know there exists a correct name (SP1) in
the top_all36_prot.rtf file. I seem to be stuck in a bit of a loop. Should
I just fix the name in my maestro file?

Thanks so much:

-- Dabble error --

WARNING: Found non-protein residues in protein...
Finding residue name SEP

ERROR: Residue name SEP wasn't found in any input topology. Would you like
to rename it?

New residue name or CTRL+D to quit > SP1
Finding residue name SEP

ERROR: Residue name SEP wasn't found in any input topology. Would you like
to rename it?

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Reply to this email directly or view it on GitHub
https://github.com/drorlab/dabble/issues/6.