Moloc | Home | About | Force-fields | Small | Match | Conformation | Proteins | Pharmacophore | Similarity | Diversity | Dynamics | X-ray | Display | Programs | Interfaces | Installation | Support | Prices |
Gerber Molecular Design |
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Extension | File Description | read write | Software |
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.pdb | Brookhaven biopolymer format | r,w | most modeling programs |
.mol, .sd | small molecules | r,w | MDL and other software |
.mol2 | biopolymers and small molecules | r,w | SYBYL and other software |
.smi, .tdt | SMILES small molecules | r,w | Daylight and other software |
.tpl .hdt, .hed | conformations of small molecules pharmacophore hypotheses | r,w | Catalyst, 3-d QSAR and data mining |
.gms, .gmt11, .gmt | biopolymers, small molecules | (r,w) | GROMOS, structure- topology-, and trajectory files |
.crm | biopolymers, small molecules | r | CHARMM structure files |
.shx | small molecules | r,w | SHELX structure file |
.dat | small molecules | w | MOPAC input structure file |
.top, .x, .rst | biopolymers, small molecules | r | AMBER structure files |
.mae, .mal | small molecules | r | MAESTRO structure files and libraries |
Extension | File Description | read write | Software |
---|---|---|---|
.geo | small molecules | w | TNT geometrical constraints file |
.lib, .dat, .so | small molecules | w | AMBER topology and parameter files |
.tpx, .prx | small molecules | w | X-PLOR topology and parameter files |
.mpf, .mpu | electron density maps | r,(w) | X-PLOR formatted and unformatted maps |
.ccp | electron density maps | r | map in CCP4 format |
.pg | electron density maps | r | map in Mapage format |
.fsf | electron density maps | r | PHASES format for maps |
.ctr | electron density maps | r | CONTUR format for maps |
.msk | mask maps | r | MAMA format for mask maps |
.acnt | Sybyl maps | r | SYBYL format for maps |
.cont | grid maps | r | GRID format for maps |