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check_mol() is a type of methods every Docker classes have.
Docker classes take molecule object or objects as input parameters. check_mol() checks if the input objects have required attributes for the following procedures in Docker classes.
For example. it will check molecular.pdb molecular.frcmod molecular.lib etc
Issue
I do not know what attributes are required for each Docker class.
Solutes and solvents need to be treated differently. Different attributes may be required by Docker classes.
Current Situation
I have made some check_mol() only check molecule.name, molecule.residue_name .. some common properties
.frcmod .mol2 are not checked
The text was updated successfully, but these errors were encountered:
Explanation of check_mol()
check_mol() is a type of methods every Docker classes have.
Docker classes take molecule object or objects as input parameters. check_mol() checks if the input objects have required attributes for the following procedures in Docker classes.
For example. it will check molecular.pdb molecular.frcmod molecular.lib etc
Issue
Current Situation
The text was updated successfully, but these errors were encountered: