Deprecation List

Deprecations in schrodinger.job.util.hunt The host, release, min_release, compat and arch and noqueue options are noop options.

Deprecations in schrodinger.pipeline.pipeio.Grid.addData Set all ligand files in input or via setData.

Deprecations in schrodinger.pipeline.pipeio.Grid.getData Use getFiles instead.

Deprecations in schrodinger.pipeline.pipeio.PhaseDB.getData Use getFiles instead.

Deprecations in schrodinger.pipeline.pipeio.Structures.addData Set all ligand files in input or via setData.

Deprecations in schrodinger.pipeline.pipeio.Structures.getData Use getFiles instead.

Deprecations in schrodinger.pipeline.pipeio.Text.getData Use getFiles instead.

Deprecations in schrodinger.structure.read_ct Use the static Structure.read method instead, as it handles multiple formats and avoids the deprecated 'ct' name.

Deprecations in schrodinger.structutils.analyze.generate_smarts Use generate_smarts_canvas instead.

Deprecations in schrodinger.structutils.analyze.get_approximate_atomic_sasa Deprecated in favor of calculate_sasa, which is more accurate.

Deprecations in schrodinger.structutils.analyze.get_approximate_sasa This function only returns a rough approximation to the solvent accessible surface area. Please use the calculate_sasa function instead.

Deprecations in schrodinger.structutils.measure.dist_cell_iterator The DistanceCellIterator class provides the same functionality as this function but with increased flexibility

Deprecations in schrodinger.test.performance.reporter.report_results See Test

Deprecations in schrodinger.utils.fileutils.get_directory Because this function behaves in a non-standard way by returning an mmlib status, get_directory_path is preferred.