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rasa calculation failed #55

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vecos1990 opened this issue Nov 15, 2024 · 3 comments
Open

rasa calculation failed #55

vecos1990 opened this issue Nov 15, 2024 · 3 comments
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@vecos1990
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I just wish to inquire if anyone is also experiencing this "rasa calculation failed" and if there is a wrap around

@Augustin-Zidek Augustin-Zidek added the bug Something isn't working label Nov 18, 2024
@Augustin-Zidek
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Does your input have more than 26 chains or did you use more than one letter chain IDs for any of the entities?

@dailypartita
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i have same error when my input like this:

>HA
QIQLVQSGPELKKPGETVKISCKASGYNFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKGRFAFSLETSANSASLQINNLKTDDTATYFCARKRGDWFAYWGQGTLVTVSA

the sequence id only support one uppercase like "A"? When I use "A1" "A2" or "AB", "HA" its turns error.

@Augustin-Zidek
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i have same error when my input like this:

>HA
QIQLVQSGPELKKPGETVKISCKASGYNFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKGRFAFSLETSANSASLQINNLKTDDTATYFCARKRGDWFAYWGQGTLVTVSA

the sequence id only support one uppercase like "A"? When I use "A1" "A2" or "AB", "HA" its turns error.

Correct, due to the MKDSSP format, only single letter chain names are currently supported in the RASA calculation pipeline. I will try to address this in January 2025.

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