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How to prohibit FreeSASA warning #50

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xiaolinpan opened this issue Aug 24, 2020 · 5 comments
Closed

How to prohibit FreeSASA warning #50

xiaolinpan opened this issue Aug 24, 2020 · 5 comments

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@xiaolinpan
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Could you teach me to prohibit the waring message? thank you very much!
"""
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
FreeSASA: warning: atom 'TRP H' unknown, guessing element is ' H', and radius 1.100 A
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
FreeSASA: warning: atom 'TRP H' unknown, guessing element is ' H', and radius 1.100 A
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
FreeSASA: warning: atom 'TRP H' unknown, guessing element is ' H', and radius 1.100 A
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
FreeSASA: warning: atom 'TRP H' unknown, guessing element is ' H', and radius 1.100 A
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
FreeSASA: warning: atom 'TRP H' unknown, guessing element is ' H', and radius 1.100 A
FreeSASA: warning: guessing that atom 'N' is symbol ' N'
FreeSASA: warning: guessing that atom 'C' is symbol ' C'
FreeSASA: warning: guessing that atom 'C' is symbol ' C'
FreeSASA: warning: guessing that atom 'O' is symbol ' O'
FreeSASA: warning: guessing that atom 'C' is symbol ' C'
FreeSASA: warning: guessing that atom 'O' is symbol ' O'
FreeSASA: warning: guessing that atom 'H' is symbol ' H'
"""

@mittinatten
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mittinatten commented Aug 27, 2020 via email

@xiaolinpan
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I use structure.addAtom() to create a freesasa structure, and when i use atom symbol(C, H, O, N, etc) as atom name, it appeared, but the result calculated is right. I want to prohibit the message, could you help me? thank you very much!

@mittinatten
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The Python API does not support all options available yet, in the C API you can suppress these specific warnings. I should probably expose that in Python as well.

You can override all warnings using:

freesasa.setVerbosity(freesasa.nowarnings)

But, you should probably not include H atoms, the standard atomic radii are designed to work without hydrogens.

@xiaolinpan
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The hydrogen atom is added to match the atom index of other programs, thank you for your help!

@mittinatten
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Ok, I have created a task to add the mentioned functionality freesasa/freesasa-python#15

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