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--
Sun Apr 27 08:44:34 BST 2003
monomer bond, angles, torsion seem to work
link bonds and angles seem to work.
we need add_link_torsion,
add_link_plane.
---
Thu May 1 16:11:51 BST 2003
0.6.0
monomer planes work now (I think).
---
Fri May 9 14:46:53 BST 2003
0.6.6
Am adding the fixed atoms. So far have done bonds.
----
Fri May 9 20:33:27 BST 2003
0.7.0
Added fixed atoms for bonds, angles, planes and torsions
(torsions not tested).
-------------------
Fri Oct 11 12:49:13 BST 2013
// plane_distortion_info_t plane_1_info =
// distortion_score_plane_internal_using_atom_indices(plane_1_atom_indices, v);
void add_parallel_plane_restraint(const std::vector<int> &plane_1_atom_indices,
const std::vector<int> &plane_2_atom_indices,
const double &target_angle_in,
conost double &sigma) {
simple_restraint sr(PARALLEL_PLANE_RESTRAINT,
plane_1_atom_indices,
plane_2_atom_indices,
target_angle_in, sigma);
restraints_vec.push_back(sr);
}