ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Classes | Variables
src.Mol2 Namespace Reference

Classes

class  mol2
 This is to manage one mol2 series of lines on the form: More...
 
class  mol2_atom
 This is to manage mol2 atomic lines on the form: 1 C1 5.4790 42.2880 49.5910 C.ar 1 <1> 0.0424. More...
 
class  mol2_bond
 This is to manage mol2 bond lines on the form: 1 1 2 ar. More...
 
class  mol2_set
 

Variables

 data = mol2_set(sys.argv[1], subset=["RNAse.xray.inh8.1QHC"])
 
 end
 

Variable Documentation

◆ data

src.Mol2.data = mol2_set(sys.argv[1], subset=["RNAse.xray.inh8.1QHC"])

Definition at line 654 of file Mol2.py.

◆ end

src.Mol2.end

Definition at line 661 of file Mol2.py.