分子查看工具
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分子查看工具使用帮助:

支持的化学分子数据格式:

ABINIT Output Format (*.abinit)

ACR format (*.acr)

ADF TAPE41 format (*.t41)

ADF output format (*.adfout)

Accelrys/MSI Biosym/Insight II CAR format (*.arc)

Accelrys/MSI Biosym/Insight II CAR format (*.car)

Accelrys/MSI Cerius II MSI format (*.msi)

Alchemy format (*.alc)

Amber Prep format (*.prep)

AutoDock PDBQT format (*.pdbqt)

Ball and Stick format (*.bs)

CASTEP format (*.castep)

CCC format (*.ccc)

Cacao Cartesian format (*.caccrt)

Canonical SMILES format (*.can)

Chem3D Cartesian 1 format (*.c3d1)

Chem3D Cartesian 2 format (*.c3d2)

ChemDoodle JSON (*.cdjson)

ChemDraw Connection Table format (*.ct)

ChemDraw binary format (*.cdx)

ChemKin format (*.ck)

Chemical Markup Language (*.cml)

Chemical Resource Kit 3D format (*.crk3d)

Chemical Resource Kit diagram(2D) (*.crk2d)

Crystal 09 output format (*.c09out)

Crystallographic Information File (*.cif)

DALTON input format (*.dalmol)

DALTON output format (*.dallog)

DL-POLY CONFIG (*.CONFIG)

DL-POLY HISTORY (*.HISTORY)

DMol3 coordinates format (*.dmol)

DMol3 coordinates format (*.outmol)

Dock 3.5 Box format (*.box)

Extended XYZ cartesian coordinates format (*.exyz)

FASTA format (*.fa)

FASTA format (*.fasta)

FASTA format (*.fsa)

FHIaims XYZ format (*.fhiaims)

Fastsearch format (*.fs)

Feature format (*.feat)

Free Form Fractional format (*.fract)

GAMESS Input (*.gamin)

GAMESS Input (*.inp)

GAMESS Output (*.gam)

GAMESS Output (*.gamess)

GAMESS Output (*.gamout)

GAMESS-UK Input (*.gukin)

GAMESS-UK Output (*.gukout)

GRO format (*.gro)

GULP format (*.got)

Gaussian Output (*.g03)

Gaussian Output (*.g09)

Gaussian Output (*.g92)

Gaussian Output (*.g94)

Gaussian Output (*.g98)

Gaussian Output (*.gal)

Gaussian Z-Matrix Input (*.gzmat)

Gaussian cube format (*.cub)

Gaussian cube format (*.cube)

Gaussian formatted checkpoint file format (*.fch)

Gaussian formatted checkpoint file format (*.fchk)

Gaussian formatted checkpoint file format (*.fck)

GenBank, DDBJ, EMBL Flat File format (*.ddbj)

GenBank, DDBJ, EMBL Flat File format (*.embl)

GenBank, DDBJ, EMBL Flat File format (*.gen)

Generic Output file format (*.dat)

Generic Output file format (*.log)

Generic Output file format (*.out)

Generic Output file format (*.output)

Ghemical format (*.gpr)

HyperChem HIN format (*.hin)

JSON format (*.json)

Jaguar input format (*.jin)

Jaguar output format (*.jout)

Kekule Chemical JSON format (*.kcj)

Kekule Chemical XML format (*.kcx)

LPMD format (*.lpmd)

MCDL format (*.mcdl)

MDFF format (*.CONTFF)

MDFF format (*.MDFF)

MDFF format (*.POSFF)

MDL MOL format (*.mdl)

MDL Mol 2000 format (*.mol)

MDL Mol 3000 format (*.mol)

MDL RXN format (*.rxn)

MDL Reaction 3000 format (*.rxn)

MDL Structure-Data format (*.sd, *.sdf)

MOPAC Cartesian format (*.mop)

MOPAC Cartesian format (*.mopcrt)

MOPAC Cartesian format (*.mpc)

MOPAC Internal (*.mopin)

MOPAC Output format (*.moo)

MOPAC Output format (*.mopout)

MPQC output format (*.mpqc)

MSI BGF format (*.bgf)

MacroModel format (*.mmd)

MacroModel format (*.mmod)

Macromolecular Crystallographic Info (*.mcif)

Macromolecular Crystallographic Info (*.mmcif)

Molden format (*.mold)

Molden format (*.molden)

Molden format (*.molf)

Molpro output format (*.mpo)

NWChem output format (*.nwo)

ORCA output format (*.orca)

OpenDX cube format for APBS (*.dx)

PCModel Format (*.pcm)

POS cartesian coordinates format (*.pos)

PQR format (*.pqr)

PWscf format (*.pwscf)

Parallel Quantum Solutions format (*.pqs)

Protein Data Bank format (*.ent)

Protein Data Bank format (*.pdb)

PubChem JSON (*.pcjson)

Q-Chem output format (*.qcout)

Reaction SMILES format (*.rsmi)

Read and write raw text (*.text)

SIESTA format (*.siesta)

SMILES format (*.smi, *.smiles)

SMILES format using Smiley parser (*.smy)

ShelX format (*.ins)

ShelX format (*.res)

Sybyl Mol2 format (*.ml2)

Sybyl Mol2 format (*.mol2)

Sybyl Mol2 format (*.sy2)

Thermo format (*.tdd)

Thermo format (*.therm)

Tinker XYZ format (*.txyz)

Title format (*.txt)

TurboMole Coordinate format (*.tmol)

Turbomole AOFORCE output format (*.aoforce)

UniChem XYZ format (*.unixyz)

VASP format (*.CONTCAR)

VASP format (*.POSCAR)

VASP format (*.VASP)

ViewMol format (*.vmol)

XCrySDen Structure Format (*.axsf)

XCrySDen Structure Format (*.xsf)

XXX format (*.XXX)

XYZ cartesian coordinates format (*.xyz)

YASARA.org YOB format (*.yob)


工具简介:

结构式是表示用元素符号和短线表示化合物(或单质)分子中原子的排列和结合方式的化学组成式。是一种简单描述分子结构的方法。本工具可以在线显示分子结构式,支持多种分子数据格式显示和互相转换。