[−][src]Module lib3dmol::tools
Various functions to compute distances, apply modifications on structures, extract sequences, ...
Modules
| distances | |
| tools |
Functions
| atom_mass | Extract atom mass from Charmm parameter files. Charmm files must have the "prm" extension |
| center_of_mass | Calculate the center of mass for structure implementing the GetAtom trait |
| euclidian_distance | Compute the euclidian distance between 2 atoms $$ \sqrt{\sum_{i=1}^{n} (x_i - y_i)^{2} } $$ |
| fasta_seq | Convert the all amino acid to a FASTA sequence (1 residue as 1 char) Consult the corresponding table to have the code 1 letter <-> 3 letters Wikipedia amino acid |
| rmsd | Compute RMSD distance between 2 structures wich have the GetAtom trait |
| select_atoms_around | Select atoms in a radius around a point The atoms at a distance minus or egal to the distance variable will be selected A point is a [f32; 3] atom_list can be all structures which implement the GetAtom trait Return a Vec<&Atom> |