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Molecular format converter
molconverter_prompt
입력 형식 분자
3 water molecule (example of xyz input) O 0 0 0 H 0 0 1 H 0 1 0
입력 파일 형식
alc -- Alchemy format
bgf -- MSI BGF format
box -- Dock 3.5 Box format
bs -- Ball and Stick format
c3d1 -- Chem3D Cartesian 1 format
c3d2 -- Chem3D Cartesian 2 format
caccrt -- Cacao Cartesian format
car -- Accelrys/MSI Biosym/Insight II CAR format
ccc -- CCC format
crk2d -- Chemical Resource Kit diagram format (2D)
crk3d -- Chemical Resource Kit 3D format
ct -- ChemDraw Connection Table format
dmol -- DMol3 coordinates format
ent -- Protein Data Bank format
feat -- Feature format
fract -- Free Form Fractional format
fs -- FastSearching
g03 -- Gaussian98/03 Output
g98 -- Gaussian98/03 Output
gam -- GAMESS Output
gamout -- GAMESS Output
gpr -- Ghemical format
hin -- HyperChem HIN format
ins -- ShelX format
jout -- Jaguar output format
mdl -- MDL MOL format
mmd -- MacroModel format
mmod -- MacroModel format
mol -- MDL MOL format
mol2 -- Sybyl Mol2 format
mopcrt -- MOPAC Cartesian format
mopout -- MOPAC Output format
mpqc -- MPQC output format
nwo -- NWChem output format
pc -- PubChem format
pcm -- PCModel Format
pdb -- Protein Data Bank format
pqs -- Parallel Quantum Solutions format
prep -- Amber Prep format
qcout -- Q-Chem output format
res -- ShelX format
rxn -- MDL RXN format
sd -- MDL MOL format
sdf -- MDL MOL format
smi -- SMILES format
tmol -- TurboMole Coordinate format
unixyz -- UniChem XYZ format
vmol -- ViewMol format
xml -- General XML format
xyz -- XYZ cartesian coordinates format
출력 파일 형식
alc -- Alchemy format
bgf -- MSI BGF format
box -- Dock 3.5 Box format
bs -- Ball and Stick format
c3d1 -- Chem3D Cartesian 1 format
c3d2 -- Chem3D Cartesian 2 format
caccrt -- Cacao Cartesian format
cache -- CAChe MolStruct format
cacint -- Cacao Internal format
cht -- Chemtool format
com -- Gaussian 98/03 Cartesian Input
crk2d -- Chemical Resource Kit diagram format (2D)
crk3d -- Chemical Resource Kit 3D format
cssr -- CSD CSSR format
ct -- ChemDraw Connection Table format
dmol -- DMol3 coordinates format
ent -- Protein Data Bank format
feat -- Feature format
fh -- Fenske-Hall Z-Matrix format
fix -- SMILES FIX format
fpt -- Fingerecho format
fract -- Free Form Fractional format
gamin -- GAMESS Input
gau -- Gaussian 98/03 Cartesian Input
gpr -- Ghemical format
gr96 -- GROMOS96 format
hin -- HyperChem HIN format
inchi -- InChI format
inp -- GAMESS Input
jin -- Jaguar input format
k -- Compares first molecule to others using InChI.
mdl -- MDL MOL format
mmd -- MacroModel format
mmod -- MacroModel format
mol -- MDL MOL format
mol2 -- Sybyl Mol2 format
mopcrt -- MOPAC Cartesian format
mpd -- Sybyl descriptor format
mpqcin -- MPQC simplified input format
nw -- NWChem input format
pcm -- PCModel Format
pdb -- Protein Data Bank format
pov -- POV-Ray input format
pqs -- Parallel Quantum Solutions format
qcin -- Q-Chem input format
report -- Open Babel report format
rxn -- MDL RXN format
sd -- MDL MOL format
sdf -- MDL MOL format
smi -- SMILES format
tmol -- TurboMole Coordinate format
txyz -- Tinker MM2 format
unixyz -- UniChem XYZ format
vmol -- ViewMol format
xed -- XED format
xyz -- XYZ cartesian coordinates format
zin -- ZINDO input format
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