Changeset 1700 in rotdif


Ignore:
Timestamp:
Jun 12, 2019, 8:47:21 AM (13 months ago)
Author:
yuexi
Message:

rename file

Location:
bin
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • bin/main_elm.py

    r1699 r1700  
    2727from os.path import join
    2828import shutil
     29from get_elm_tensor import elm_tensor
    2930
    3031def message_box(text,icon):
     
    194195    output_res[ 'elm_out' ] = elm_out
    195196    output_res['elm_params'] = elm_params
     197    pdb = join(str(base_dir),join(sub_dir,Pdbfilename))
     198    elm_tensor(pdb)
     199    output_res['elm_tensor'] = [join(str(base_dir), join(sub_dir,'ELM_tensor.py'))]
    196200    print(json.dumps(output_res))
    197 
  • bin/main_elmdock.py

    r1699 r1700  
    8383        if elmdock_flag == True:
    8484            save_dock(dyna_flag, elm_flag, elmdock_flag)     
    85             output_res[ 'elmdock_out' ] = [join(str(base_dir),join(sub_dir,'ELMDOCK'))]
     85            output_res[ 'elmdock_out' ] = [join(str(base_dir),join(sub_dir,'elmdock_transformations.out'))]
    8686            output_res[ 'pdb'] = [join(str(base_dir), join(sub_dir,'out_dock.pdb'))]
    87             view_pdb = join(str(base_dir), join(sub_dir,'out_dock.pdb'))
     87            view_pdb = join(str(base_dir), join(sub_dir,'elmdock_structures.pdb'))
    8888            output_res['outputpdb'] = { "file" : view_pdb, "script" : "ribbon ONLY" }
    8989       
    90         output_res[ 'outputrotdif' ] = [join(str(base_dir), join(sub_dir,'elmdock_log.out'))]
     90        output_res[ 'outputrotdif' ] = [join(str(base_dir), join(sub_dir,'elmdock_results.out'))]
    9191        print (json.dumps(output_res))
    9292    else:
  • bin/main_rotdif.py

    r1699 r1700  
    7272    exp_graph,exp_keys,exp_resi,dyna_resi = exp_plot(color_list, dyna_flag, elm_flag, elmdock_flag,old_relax)
    7373    outputmd_arr_files = []
    74     log_out = [join(str(base_dir),join(sub_dir,'rotdif_log.out'))]
    75     ani_out = [join(str(base_dir),join(sub_dir, 'out_ani.py'))]
    76     axi_out = [join(str(base_dir),join(sub_dir, 'out_axial.py'))]
     74    log_out = [join(str(base_dir),join(sub_dir,'rotdif_results.out'))]
     75    ani_out = [join(str(base_dir),join(sub_dir, 'tensor_axes_full.py'))]
     76    axi_out = [join(str(base_dir),join(sub_dir, 'tensor_axes_axial.py'))]
    7777
    7878    if dyna_flag == True:
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