![]() ![]() For molecular systems, check Keep intramolecular coordinates, then intramolecular coordinates are kept fixed. If you want to change the position of the atoms fixed as the cell is deformed, check the Move with keeping fractional coordinates checkbox. Atomic positions specifies how to move atoms.Ĭheck Do not change if you want to keep the position of the atoms and only change the cells. Star 1 Code Issues Pull requests Rubik's cube solver using PDB, developed in C++. Specify the type and value of the angle to be transformed.Ģ. ![]() and exportfile from certain file suffixes (e.g.pdb. Specify the direction to be deformed and the strain to be applied.Ĭheck Transform by angle if you want to change the angle of a cell. Babel is a program for the conversion of molecular data formats, written by Pat. MolArch+ may be used to also import this data and convert it into. Enter the target density after the transformation in Target Density.Ĭheck Transform by shear strain if you want to apply a shear strain. If the PDB-file actually contains more than one molecular structure, all except the. If you want to transform a cell similarly, check Transform similarly. or Set density to specify the deformed density. The Babel file conversion program (v1.3, copyright 1992-1996 W. Check Set incremental length for length, Set total length for size after deformation, or Set normal strain for vertical strain. How to transform cell specifies how to transform the cell.Ĭheck the Transform only along the selected axis if you want to deform the cell only along the selected axis. How to adjust the atomic and molecular structure displayġ. Assign different residue numbers to each molecule. Convert Aromatic Rings to Single and Double Bonds Creates bonds between adjacent atoms in a group To marked atoms (Single), (Double), (Triple) Adding dummy atoms to the center of gravity of a group babel - a converter for chemistry and molecular modeling data files. Adding dummy atoms to the center of gravity of a group ![]()
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