def test_loopmodel_KC1D_HUMAN_D0_4HNF_A(): with integrationtest_context(set_up_project_stage='templates_resolved'): template = Mock() template.id = 'KC1D_HUMAN_D0_4HNF_A' template.seq = 'YRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLF' missing_residues = pdbfix_template(template) loopmodel_template(template, missing_residues) assert os.path.exists(os.path.join('templates', 'structures-modeled-loops', 'KC1D_HUMAN_D0_4HNF_A.pdb'))
def test_loopmodel_KC1D_HUMAN_D0_3UZP_A(): """ No missing residues """ with integrationtest_context(set_up_project_stage='templates_resolved'): template = Mock() template.id = 'KC1D_HUMAN_D0_3UZP_A' template.seq = 'YRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLF' missing_residues = pdbfix_template(template) loopmodel_template(template, missing_residues) assert not os.path.exists(os.path.join(ensembler.core.default_project_dirnames.templates_structures_modeled_loops, 'KC1D_HUMAN_D0_3UZP_A.pdb')) log = yaml.load(open(os.path.join(ensembler.core.default_project_dirnames.templates_structures_modeled_loops, 'KC1D_HUMAN_D0_3UZP_A-loopmodel-log.yaml'))) assert log['no_missing_residues'] == True