MTK++ Latest version: 0.2.0

Public Attributes
MTKpp::stdRotBond Struct Reference

Container for standard rotatable bonds. More...

#include <mtkpp/src/Molecule/stdFrag.h>

List of all members.

Public Attributes

int atom1
 first atom
int atom2
 second atom
int atom3
 third atom
int atom4
 fourth atom
std::vector< double > values
 torsion values available to the rotatable bond

Detailed Description

Container for standard rotatable bonds.


Member Data Documentation

first atom

second atom

third atom

fourth atom

std::vector<double> MTKpp::stdRotBond::values

torsion values available to the rotatable bond


The documentation for this struct was generated from the following file:

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