UnityMol 1.0.36 public version
This is the public version of UnityMol 1.0.36 source files released (July 2020) with ABPS-UnityMol paper: Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS (10.1002/pro.3773)
APBS integration was done by Joseph Laurenti.
UnityMol 1.0 Features
- clean data structure / code base with a high level API, unit tests, doxygen documentation
- Virtual Reality (VR) capabilities with VRTK (Oculus/Vive/Windows Mixed Reality HMDs/...)
- a python console to script all actions in UnityMol
- save/load commands to save/restore the current scene
- advanced selections using MDAnalysis language
- fast hyperball representation
- classical molecular representations cartoon/surface (EDTSurf/MSMS)/line/fieldlines/
- covalent bonds based on OpenMM topology definition here
- molecular file parsers: PDB/mmCIF/GRO/MOL2/SDF/XYZ
- trajectory reader: XTC | Trajectory smoother built-in
- MDAnalysis version of libxdrfile -> low memory usage even for large trajectories
- object space ambient occlusion (AO) for surfaces and VDW hyperballs
- new Unity UI system (faster than 0.9.x versions)
Requirements
UnityMol is based on the game engine Unity.
This version is working on Unity 2019.4.21f1 LTS, tested on Windows/Mac/Linux. Main developpement is done on Windows.
Known Bugs
- Some shaders do not work correctly on Metal so make sure you use OpenGL on Mac.
- There is a bug on Unity for Mac (before 2020.2.0a12) that makes an empty Unity project consume a lot of CPU resources even when the focus is lost. This is not UnityMol code causing it.
- Do not activate adaptive rendering for Oculus... Rendering bugs
APBS
The integration of APBS tools was mainly done by Joseph Laurenti from Nathan Baker's group at PNNL.
First, install PDB2PQR and APBS (https://sourceforge.net/projects/pdb2pqr/ & https://sourceforge.net/projects/apbs/), for example with "C:/APBS_PDB2PQR/apbs/bin/apbs.exe" & "C:/APBS_PDB2PQR/pdb2pqr/pdb2pqr.exe".
Set executable path by clicking the first button of the PDB2PQR menu, UnityMol will look in sub directories for apbs and pdb2pqr binaries.
Note that some steps will load another molecular file and hide the previous one.
APBS tools are not binded to APIPython functions so you cannot script APBS calls for now.
License
UnityMol is dual-licensed under the LGPL-3.0 (see under). However, all external assets used in UnityMol are under a permissive open-source license: MIT/Apache-2.0/BSD-3.0
For commercial use, UnityMol can be licensed under a custom license. Please contact [email protected]
