Questions tagged [software-assistance]
Questions asking for assistance with the use or compilation of a software.
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questions with no upvoted or accepted answers
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How do I install Quantum ESPRESSO on Windows 10?
Cross posted on LinkedIn
Struggling to install Quantum Espresso on Windows 10 for vital DFT calculations due to missing GitHub libraries. Seeking assistance from the LinkedIn community. If you have ...
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Why VESTA displays much more atoms beyond the cell boundaries?
I was trying to follow this recipe, NanoCrystal / Graphene Heterostructure in VESTA step by step but instead of an Au nanocrystal, I put a small graphene nanoflake approximately 3.35 Å on top of ...
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Autodock prepare_receptor4.py script gives error while converting pdb files to pdbqt files
Cross-posted on Chemistry.SE.
I am trying to make pdbqt files from pdb files for Docking with Autodock vina but getting errors while running the prepare_receptor4.py script present in the mgltools ...
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