diff --git a/release/molecular_nodes_0.10.2.zip b/release/molecular_nodes_0.10.2.zip new file mode 100644 index 00000000..54ecc2ac Binary files /dev/null and b/release/molecular_nodes_0.10.2.zip differ diff --git a/serpens_plugin_file.blend b/serpens_plugin_file.blend index 841f599f..a474af2e 100644 Binary files a/serpens_plugin_file.blend and b/serpens_plugin_file.blend differ diff --git a/src/CustomNodes.py b/src/CustomNodes.py index 5dcfbb16..52f2a557 100644 --- a/src/CustomNodes.py +++ b/src/CustomNodes.py @@ -211,7 +211,11 @@ def create_node_group(node_name, input_list, label_prefix = "Chain "): node_name = "MOL_" + str(output_name) + "_selection_chain" # finally make the selection node! -create_node_group(node_name, chain_list) +create_node_group( + node_name = node_name, + input_list = chain_list, + label_prefix = "Chain" + ) # node = bpy.context.selected_nodes[0] # bpy.ops.transform.translate('INVOKE_DEFAULT') \ No newline at end of file diff --git a/src/mda_test.py b/src/mda_test.py index 121f836a..70b799da 100644 --- a/src/mda_test.py +++ b/src/mda_test.py @@ -269,7 +269,7 @@ def create_prop_AtomicNum_ChainNum_NameNum(univ, name, collection): name=name, collection=collection, prop_x=prop_elem_num, - prop_y=prop_chain_num, + prop_y=prop_chain_num + 1, # to have the first chain be index from 1 prop_z=prop_name_num, n_atoms=n ) @@ -410,6 +410,7 @@ def create_frames(universe, collection, start=1, end=50000, time_step=100, name= ) counter += 1 +n_frames = len(u.trajectory) # create the frames from the given universe, only along the given timesteps create_frames(