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LPDI-EPFL / masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Apache License 2.0
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Remove tmp files when preparing data #22

Closed mpdprot closed 3 years ago

mpdprot commented 3 years ago

MSMS, for example, is leaving huge files in the tmp directory. These should be removed.

pablogainza commented 3 years ago

Hi !! Sorry for the late reply. I've made the fixes you suggested. Thank you so much for pointing it out. I don't remove the pdbs themselves because it is sometimes useful to have them in the tmp directory but I do remove the MSMS and APBS temporary files which are also the bulkiest.

Thanks !! Pablo

mpdprot commented 3 years ago

Ah very good, thanks! On 3 Mar 2021, 14:36 +0000, Pablo Gainza notifications@github.com, wrote:

Hi !! Sorry for the late reply. I've made the fixes you suggested. Thank you so much for pointing it out. I don't remove the pdbs themselves because it is sometimes useful to have them in the tmp directory but I do remove the MSMS and APBS temporary files which are also the bulkiest. Thanks !! Pablo — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub, or unsubscribe.