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Published 20 hours ago • verified publisher icon SENSAAS
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Shape-based alignment of molecules using 3D point-based representation

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Meta-sensaas.py Permission denied Issue

Installed sensaas package in Ubuntu WSL with all the dependent packages. When I run meta-sensaas.py using the following command from a folder called test: python ../meta-sensaas.py ../examples/IMATINIB.sdf ../examples/IMATINIB_parts.sdf I get...

aldrindenny avatar aldrindenny

meta-sensaas.py modified to handle special case

meta-sensaas.py (def randomizesdf()) was modified to handle SDF files where the number of atoms and bonds are not separated by a space (eg: 92100 for 92 atoms and 100 bonds)

douguet avatar douguet

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Shape-based alignment of molecules using 3D point-based representation

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