chemistry

Describe the problem
PROTACs are a class of therapeutics that flag target proteins to a cell's waste disposal system, instead of the traditional binding to targets. It has been very promising due to its ability to tackle undruggable targets. However, problems still exist, such as designing the PROTACs, measure the degradability, understand the mechanism. A recent paper https://www.biorxiv.org

• Issue Title: Adding support for color blinds

• Description: This is more of an improvement suggestion rather than a bug report. It is really hard for me -as a color blind- distinguish between solid and liquid colors. And, since the colors appear for a short amount of time (I don't know if it is a bug or an intended behavior) when you move the slider knob of the temperature slider

Topic

General area which your question is related to.

• Installation of RMG
• Running an RMG job
• Using RMG API
• Arkane (formerly CanTherm)
• Dependencies
• An error message

Question

Is there a simple way to write critical properties (i.e., critical temperature and critical pressure) for each chemical

It would be nice to get the code ready for Qt6:
https://doc.qt.io/qt-6/portingguide.html

Step 1 - make sure it works with Qt 5.15 (requires VTK9 #516)

• Compile with -DQT_DISABLE_DEPRECATED_BEFORE=0x050F00
• Port QRegExp to QRegularExpression (https://www.qt.io/blog/porting-from-qt-5-to-qt-6-using-qt5compat-library)
  • #include
  • Change CMakeLists to include Qt::Core5Compat