A molecular playground for millions of atoms.
Moovoo is a Vulkan and C++ molecule editor that give you millions of ray-traced atoms and connections, ultra fast load times.
I am currently conducting a survey of people who use structural biology tools to see what kind of problems they solve and whether we can create better tools using modern methodologies such as GPU compute and machine learning to play with very large structures of atoms beyond the scale of rhibosomes such as DNA and RNA structure.
There is some basic infrastructural work to be done to provide the core functionality of legacy tools such as PyMol.
Please send me your data if possible, especially very complex structures that are difficult to render using existing software.
On the schedule is:
Web-based thin client editing for VR and mobile.
A scripting system.
Ability to stretch and pull chains.
Tools for folding RNA, DNA and protiens.
Tools for docking RNA, DNA and protiens.
Real-time movie generation.
Visualisation of contact maps.
Javascript, R and Python bindings.
Direct access to the PDB databank via the REST api.
Everything in Moovoo is real-time given a decent graphics card and plenty of RAM. Vulkan supports multithreaded rendering, GPU compute, high performance mobile rendering for VR. It supports PDB and CIF files so far, but more can be added with an emphasis on loading speed. For example the file 5dge.cif which has 413k atoms and 516k lines takes less than a second to load in release builds and renders at 30fps.
The application is a single module C++ build which should take less than a couple of seconds and has all its own dependencies and so should build out of the box given a Vulkan SDK install from LunarG. What is more it has comments and meaningful variable names.
It should run on Windows, Linux, Android and Apple devices.
To build visual studio solutions and makefile respectively:
Windows
mkdir build
cd build
cmake -G "Visual Studio 14 2015 Win64" ..
moovoo.sln
Linux
mkdir build
cd build
cmake ..
make
