For Downloads scroll down! Download "PorphyStruct.exe"
New Features:
- Can now apply transformations to select starting pyrrole and CW / CCW direction by Inverting the displacement diagram in Y and X Axis and shifting the starting pyrrole.
- Selecting Atoms in either 3D View or deflection diagram will now highlight which atom is selected in a pink color.
Changes:
- flipped saddling mode to match J.A. shelnutts definition of saddling (-> signs are flipped in simulations, compared with earlier versions)
- "Invert" ist now called "InvertY" to clarify. The simulation now updates on Inversion.
- Addded InvertX function
- Added Shift Button which basically rotates the ring if applicable (Cycle not Corrole or Corrphycene)
Full Changelog: v2.0.0...v.2.0.1
For previewing the mode references use the PorphyStruct Calculator
CLI (optional)
CLI Files (not required if you not plan to use the CLI!!!):
The ZIP File contains Builds for Windows, Mac OS and Linux x64 Systems as well as Linux ARM
Delete uneccessary files after unpacking.
Usage:
PorphyStruct.CLI.exe analyze "PATH/TO/YOUR_FILE.mol2" -x
Leave out .exe for non windows versions, -x is for "use extended basis"