990cab8e4e0aa424e9ab506966efc9642a682015,src/biotite/structure/basepairs.py,,_get_std_adenine,#,54
Before Change
[atom1, atom2, atom3, atom4, atom5, atom6, atom7, atom8,
atom9, atom10, atom11]
)
adenine_pdbv3 = adenine_pdbv2.copy()
adenine_pdbv3.atom_name[[0]] = ["C1""]
// Get the midpoint between the N1 and C4 atoms
midpoint = np.mean([atom8.coord, atom11.coord], axis=-2)
// Calculate the coordinates of the aromatic ring centers
pyrimidine_center = np.mean(
[atom5.coord, atom6.coord, atom8.coord,
atom9.coord, atom10.coord, atom11.coord], axis=-2
)
imidazole_center = np.mean(
[atom2.coord, atom3.coord, atom4.coord,
atom5.coord, atom11.coord], axis=-2
)
// Create boolean masks for the AtomArray containing the bases`
// heteroatoms (or the usually attached hydrogens) which can act as
// Hydrogen Bond Donors or Acceptors respectively.
hbond_donor_mask = _get_1d_boolean_mask(
adenine_pdbv2.array_length(), [1, 6]
)
hbond_acceptor_mask = _get_1d_boolean_mask(
adenine_pdbv2.array_length(), [1, 3, 6, 7, 9]
)
return (adenine_pdbv2, adenine_pdbv3), \
(midpoint, pyrimidine_center, imidazole_center), \
(hbond_donor_mask, hbond_acceptor_mask)
After Change
atom5.coord, atom11.coord], axis=-2
)
return adenine, (midpoint, pyrimidine_center, imidazole_center)
def _get_std_cytosine():
In pattern: SUPERPATTERN
Frequency: 4
Non-data size: 15
Instances
Project Name: biotite-dev/biotite
Commit Name: 990cab8e4e0aa424e9ab506966efc9642a682015
Time: 2020-10-28
Author: tom.mueller@beachouse.de
File Name: src/biotite/structure/basepairs.py
Class Name:
Method Name: _get_std_adenine
Project Name: biotite-dev/biotite
Commit Name: c3165b873b6dc7c46d5920739e270f289f7cbbc3
Time: 2020-10-28
Author: tom.mueller@beachouse.de
File Name: src/biotite/structure/basepairs.py
Class Name:
Method Name: _get_std_thymine
Project Name: biotite-dev/biotite
Commit Name: 990cab8e4e0aa424e9ab506966efc9642a682015
Time: 2020-10-28
Author: tom.mueller@beachouse.de
File Name: src/biotite/structure/basepairs.py
Class Name:
Method Name: _get_std_adenine
Project Name: biotite-dev/biotite
Commit Name: 60557605eb068d5d49daaed3ca9c37e976b0d866
Time: 2020-10-28
Author: tom.mueller@beachouse.de
File Name: src/biotite/structure/basepairs.py
Class Name:
Method Name: _get_std_cytosine
Project Name: biotite-dev/biotite
Commit Name: 28db893eb8cf19294f8e33c36ce0c33ae3924440
Time: 2020-10-28
Author: tom.mueller@beachouse.de
File Name: src/biotite/structure/basepairs.py
Class Name:
Method Name: _get_std_uracil