Merging branches from ReliaSolve

rlabduke / reduce

Reduce - tool for adding and correcting hydrogens in PDB files

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Closed russell-taylor closed 4 years ago

russell-taylor commented 4 years ago

This adds two different capabilities:

New command-line arguments that enable finer-grained control of the addition and removal of hydrogens and whether or not to perform optimizations after the hydrogens are added.
CMakeLists.txt file that is able to compile on Windows in Visual Studio as well as other architectures

Both have been tested to ensure backwards compatibility. The new features have been tested to see that they behave as expected.

russell-taylor commented 4 years ago

Need to change the version number and add to the history function.