Fix the scaling of the hydrophobicity output, and add a unit test #42
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Contributor
fwaibl
commented
Feb 5, 2025
fwaibl
commented
- There is now a unit test to check that the scale of the written surface roughly matches that of the atomic coordinates. This is to avoid unit conversion errors in the future.
- Updated the README with some information on PLY output and units.
* There is now a unit test to check that the scale of the written surface roughly matches that of the atomic coordinates. This is to avoid unit conversion errors in the future. * Updated the README with some information on PLY output and units.
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This should fix #41. |
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