diff options
| -rw-r--r-- | io_mesh_pdb/__init__.py | 2 | ||||
| -rw-r--r-- | io_mesh_pdb/import_pdb.py | 40 |
2 files changed, 32 insertions, 10 deletions
diff --git a/io_mesh_pdb/__init__.py b/io_mesh_pdb/__init__.py index 4868ac25..c08c642e 100644 --- a/io_mesh_pdb/__init__.py +++ b/io_mesh_pdb/__init__.py @@ -464,7 +464,7 @@ class CLASS_atom_pdb_load_button(Operator): # This is the class for the file dialog. class ImportPDB(Operator, ImportHelper): bl_idname = "import_mesh.pdb" - bl_label = "Import Protein Data Bank (*.pdb)" + bl_label = "Import Protein Data Bank(*.pdb)" filename_ext = ".pdb" filter_glob = StringProperty(default="*.pdb", options={'HIDDEN'},) diff --git a/io_mesh_pdb/import_pdb.py b/io_mesh_pdb/import_pdb.py index 8a860cbb..69008142 100644 --- a/io_mesh_pdb/import_pdb.py +++ b/io_mesh_pdb/import_pdb.py @@ -557,17 +557,39 @@ def DEF_atom_pdb_main(use_mesh,Ball_azimuth,Ball_zenith, elif "ATOM" in line or "HETATM" in line: # What follows is due to deviations which appear from PDB to - # PDB file. It is very special. PLEASE, DO NOT CHANGE! From here ... - short_name = line[13:14] - if short_name.isupper() == True: + # PDB file. It is very special! + # + # PLEASE, DO NOT CHANGE! ............................... from here + if line[12:13] == " " or line[12:13].isdigit() == True: + short_name = line[13:14] if line[14:15].islower() == True: - short_name = short_name + line[14:15] - else: + short_name = short_name + line[14:15] + elif line[12:13].isupper() == True: short_name = line[12:13] - if short_name.isupper() == True: - if line[13:14].islower() == True: - short_name = short_name + line[13:14] - # ... to here. + if line[13:14].isalpha() == True: + short_name = short_name + line[13:14] + else: + print("Atomic Blender: Strange error in PDB file.\n" + "Look for element names at positions 13-16 and 78-79.\n") + return -1 + + if len(line) >= 78: + + if line[76:77] == " ": + short_name2 = line[76:77] + else: + short_name2 = line[76:78] + + if short_name2.isalpha() == True: + FOUND = False + for element in ATOM_PDB_ELEMENTS: + if str.upper(short_name2) == str.upper(element.short_name): + FOUND = True + break + if FOUND == False: + short_name = short_name2 + # ....................................................... to here. + # Go through all elements and find the element of the current atom. FLAG_FOUND = False |