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MonomerLibrary / monomers

dictionary of monomers and links
GNU Lesser General Public License v3.0
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fix data_mod_list #16

Closed keitaroyam closed 1 year ago

keitaroyam commented 1 year ago

data_mod_NHmod was removed in #10, but NHmod remained in data_mod_list.

It causes a problem with gemmi 0.5.7 https://github.com/project-gemmi/gemmi/blob/6830e4c1e80ae6cf2a48366ced2c0d196dd18f23/include/gemmi/monlib.hpp#L346 The latest gemmi is ok with it (since https://github.com/project-gemmi/gemmi/commit/b30542e5)

keitaroyam commented 1 year ago

Charles confirmed now the test ($CCP4/lib/python3.7/site-packages/modelcraft/geometry.py :9) has been passed.