Tutorials: Modelling Polymers
In this section, we will introduce the basic workflows that can be developed with PySoftK. Similarly, the creation of a new function that enables the creation of a ring polymer using pre-existing functions of PySoftK introduces the user into the process of developing new tools using PySoftK.
- Preparing monomers for PySoftK
- From single molecules to polymers using PySoftK
- Creating a Polymer
- Creating chains of Polymers
- Creating diblock Polymers
- Creating random Polymers
- Creating cyclic Polymers
- Creating branched Polymers
- Creating patterned Polymers
- Recursive linear polymer generation with Lpr
- Modelling soft-matter long chain polymers
- Creating new polymers from different modules
- Automatic Folder Creation
- Computing using ab-initio calculators
- Automatic torsional angle detection for planar polymers