Merge branch 'ligand_scoring' into develop

.gitlab-ci.yml

docker/Dockerfile

modules/io/src/mol/sdf_reader.cc

modules/io/tests/test_io_sdf.cc

modules/mol/alg/doc/molalg.rst

modules/mol/alg/pymod/chain_mapping.py

modules/mol/alg/pymod/ligand_scoring.py

modules/mol/alg/tests/CMakeLists.txt

modules/mol/alg/tests/test_ligand_scoring.py

modules/mol/alg/tests/testfiles/1r8q.pdb.gz

modules/mol/alg/tests/testfiles/1r8q_ligand_0.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_1.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_2.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_3.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_4.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_5.sdf

modules/mol/alg/tests/testfiles/1r8q_ligand_6.sdf

modules/mol/alg/tests/testfiles/1r8q_protein.pdb.gz

modules/mol/alg/tests/testfiles/4c0a.cif.gz

modules/mol/alg/tests/testfiles/P84080_model_01.cif.gz