gempro.py 文件源码

def get_msms_annotations(self, representatives_only=True, force_rerun=False):
        """Run MSMS on structures and store calculations.

        Annotations are stored in the protein structure's chain sequence at:
        ``<chain_prop>.seq_record.letter_annotations['*-msms']``

        Args:
            representative_only (bool): If analysis should only be run on the representative structure
            force_rerun (bool): If calculations should be rerun even if an output file exists

        """
        for g in tqdm(self.genes):
            g.protein.get_msms_annotations(representative_only=representatives_only, force_rerun=force_rerun)