File Formats

Support file formats and their extensions.

Structure

• MMCIF and CIFCORE (mmCIF and coreCIF schemas): cif, bcif, mmcif, mcif
• GRO: gro
• MOL: mol
• MOL2: mol2
• PDB/PDBQT: pdb, ent, pdbqt
• SDF: sdf, sd
• XYZ: xyz

Topology

Need to be loaded together with Coordinates.

• PRMTOP: prmtop, parm7
• PSF: psf
• TOP: top

Coordinates

Need to be loaded together with a Structure or Topology.

• DCD: dcd
• NCTRAJ: nc, nctraj
• TRR: trr
• XTC: xtc

Volume

• CCP4/MRC/MAP: ccp4, mrc, map
• CUBE (may include a Structure): cub, cube
• DSN6/BRIX: dsn6, brix
• DX and DXBIN: dx, dxbin
• DSCIF (DensityServer CIF schema): cif, bcif

Shape

• PLY