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jamaliki avatar jamaliki commented on June 27, 2024 1

Hi Sander,

You are right, this should be handled better by the program. For now, you could put a glycine so that the numbering of the end model is what you expect. But, hopefully I will push out a fix soon.

Best,
Kiarash.

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ColdPopeye avatar ColdPopeye commented on June 27, 2024

What would be the best way of dealing with these unknown residues, just delete them, replace them with glycines, or something else? Also, it would probably be nice to catch this issue before the start of the C-alpha prediction

I think this is an underrated issue, it doesn't make sense that there isn't a pre-check of the input files prior to the start of the prediction. Sometimes weird formatting or an error in a sequence can take 20 minutes to show up.

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jamaliki avatar jamaliki commented on June 27, 2024

@ColdPopeye this should be fixed since v1.0.8, does it still give you an issue?

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ColdPopeye avatar ColdPopeye commented on June 27, 2024

@ColdPopeye this should be fixed since v1.0.8, does it still give you an issue?

I have a slightly sillier problem, not sure where and when it comes up. I have sequencing results as a word file from which I copy paste them to make a fasta file. Sometimes formatting gets copied or I mis-paste something (I think because windows and WSL behave strangely). In any case the error only comes after the C-alpha prediction which is a bit annoying.

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