Gaussian-2-Blender is a tool that allows users to convert a Gaussian input file into a 3D object for modeling, 3D printing, animations and other 3D applications.
- Install Blender in your machine. Link: https://www.blender.org/download/
- Install the latest version of Python. Link: https://www.python.org/downloads/
- No programming-knowledge required to use this tool.
- If you install Blender on a path which is not the Windows default, take note of the path as it will be needed.
- Download the whole 'Gaussian-2-Blender' package and unzip to its desired location.
- The executable
Gaussian-2-Blender.exe
will be ready to use. Do not move, rename nor delete any files or folders that come with the package. - Click on this YouTube link for a tutorial on how to use the tool.
- The example .com files are inside the
input_examples
folder, separated by categories. - For example: the file
Ice.com
is located ininput_examples\inorganic\
folder - The
output
folder begins empty. Is the default location for the 3D rendering of the tool.
- Double-click on the
Gaussian-Blender-Bridge.exe
file. - Select one or more '.com' files from the same folder.
- The default rendering radii are covalent. For rendering ionic radii select the
Check for Ionic Radii
option. - Add each ion and select their charge, coordination and spin multiplicity (when available).
- Click on
Convert!
to convert the .com input into de desired output type. - Click on
Reset
to reset everything to their default values.
If desired, you can run the Gaussian-2-Blender.py
python script from the console.
- Copy the Gaussian-2-Blender.py file in the gui folder
- Open a terminal in the
Blender-Gaussian-Bridge/gui/
folder and type the next command:
python Gaussian-2-Blender.py
Follow this link from the Journal of Chemical Education
to access the technical report for this project.
Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.