zkdumpreader reads lammps dump file to check if bound molecules are sepeareted and write how many molecules left bound in each timestep into a csv file. Also reports which molecules are apart from their binding sites at which timestep in how many units of sigma to a report.txt file zkdumpreader has only one method named dumpread.
Release files for zkdumpreader 0.0.7
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Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| zkdumpreader-0.0.7-py3-none-any.whl | Python 3 | none | any | Details |
Release files / zkdumpreader-0.0.7-py3-none-any.whl
| Download URL | zkdumpreader-0.0.7-py3-none-any.whl |
|---|---|
| Size | 4.1 kB |
| Tags | Python 3 |
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2e6ec2c0114e4c328e0dd73c4409e803ae7b34105b84851bcff643a909ed84d0
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twine/3.4.1 importlib_metadata/4.0.1 pkginfo/1.7.0 requests/2.25.1 requests-toolbelt/0.9.1 tqdm/4.60.0 CPython/3.9.4
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