`qa.cli`¶

Command-line interface (CLI) entry point and complete reference of qa functionality.

Module Contents¶

`welcome`()	Print first to welcome the user while it waits to load the modules
`cli`(combine_restarts_new, combine_restarts_old, ...)

qa.cli.welcome()¶: Print first to welcome the user while it waits to load the modules

qa.cli.cli(combine_restarts_new, combine_restarts_old, combine_replicates, xyz2pdb, clean_frames, charge_coupling_plot, find_stalled, get_heatmap, cpptraj_covars, charge_matrix_analysis, clean_qm, combine_qm_charges, combine_rep_qm_charges, predict, multiwfn_charges, multiwfn_charge_args, calc_esp, check_esp_failed, plot_esp, combine_sp_xyz, plot_heme_distortion, td_coupling, centroid_distance, distance_esp_plot, simple_xyz_combine, kde_dist_esp_plot)¶

qa.cli.mc6 = ['ACE', 'ASP', 'GLU', 'GLN', 'GLN', 'LEU', 'HIS', 'SER', 'GLN', 'LYS', 'ARG', 'LYS', 'ILE',...¶

qa.cli.mc6s = ['ACE', 'ASP', 'LEU', 'GLN', 'GLN', 'LEU', 'HIS', 'SER', 'GLN', 'LYS', 'ARG', 'LYS', 'ILE',...¶

qa.cli.mc6sa = ['ACE', 'ASP', 'LEU', 'GLN', 'GLN', 'LEU', 'HIS', 'SER', 'GLN', 'LYS', 'ARG', 'LYS', 'ILE',...¶

qa.cli.mc7 = ['ACE', 'ASP', 'LEU', 'GLN', 'GLN', 'LEU', 'HIS', 'SER', 'GLN', 'LYS', 'ARG', 'LYS', 'ILE',...¶