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alexarnimueller / modlAMP

Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
https://modlamp.org
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Improve documentation for descriptors.GlobalDescriptor #13

Closed hejops closed 3 years ago

hejops commented 3 years ago

https://modlamp.org/modlamp.html#modlamp.descriptors.GlobalDescriptor.calculate_all

The method descriptors.GlobalDescriptor returns an array of 10 elements (everything except molecular formula). However, the documented example shows an array of 9 elements; sequence charge is missing. This was quite baffling to me when I first used the method.

The documentation could be written as such for better clarity: "Method combining all 10 global descriptors (except molecular formula)..."

alexarnimueller commented 3 years ago

Hi @hejops, thanks a lot for pointing this out. The documentation wasn't adapted when we changed the code. Btw: the feature names corresponding to the descriptor values can be obtained from the attribute featurenames. I will correct the documentation with the next version. Cheers

alexarnimueller commented 3 years ago

The documentation is corrected and there is also a new version 4.3.0 available for update. Have fun pip install --upgrade modlamp