Convert
- molecule file format conversion (via ChemAxon JChem)
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Input:
format:
automatic
mrv - ChemAxon Marvin Documents / MRV
cxsmiles - ChemAxon Extended SMILES / cxsmiles
cxsmarts - ChemAxon Extended SMARTS / cxsmarts
abbrevgroup - ChemAxon SMILES Abbreviated Groups
csmdl - ChemAxon Compressed Mol, Rxn or SDfile
csmol - ChemAxon Compressed Mol, Rxn or SDfile
csrxn - ChemAxon Compressed Mol, Rxn or SDfile
cssdf - ChemAxon Compressed Mol, Rxn or SDfile
csrdf - ChemAxon Compressed RDfile
mol - MDL Molfile
rgf - MDL Molfile
mol:V3 - MDL Extended Molfile (v3000)
rxn - MDL Rxnfile
rxn:V3 - MDL Extended Rxnfile
sdf - MDL SDfile
sdf:V3 - MDL SDfile
rdf - MDL RDfile
skc - SKC File Format
cdx - CDX File Format
cdxml - CDXML File Format
cml - Chemical Markup Language / CML
smiles - SMILES
smarts - SMARTS
inchi - InChI
peptide - Peptide Sequence
peptide:1 - Peptide Sequence
peptide:3 - Peptide Sequence
rna - RNA Sequence
dna - DNA Sequence
mol2 - Tripos Mol2
sybyl - Tripos SYBYL molfile
pdb - Protein Data Bank / PDB
xyz - XYZ
cube - Gaussian Cube
gout - Gaussian Output Format
pdf - Portable Document Format / PDF
d2s - Text/Office Document (supported by Document to Structure)
fasta - FASTA File Format (Automatic sequence recognition)
fasta:dna - FASTA File Format (DNA sequence)
fasta:rna - FASTA File Format (RNA sequence)
fasta:peptide - FASTA File Format (peptide sequence)
accord - Accord file format
name - Name
csv - CSV
file2txt
upload:
...or paste:
Output:
format:
automatic
mrv - ChemAxon Marvin Documents / MRV
cxsmiles - ChemAxon Extended SMILES / cxsmiles
cxsmarts - ChemAxon Extended SMARTS / cxsmarts
abbrevgroup - ChemAxon SMILES Abbreviated Groups
csmol - ChemAxon Compressed Mol, Rxn or SDfile
csrxn - ChemAxon Compressed Mol, Rxn or SDfile
cssdf - ChemAxon Compressed Mol, Rxn or SDfile
csrdf - ChemAxon Compressed RDfile
mol - MDL Molfile
rgf - MDL Molfile
mol:V3 - MDL Extended Molfile (v3000)
rxn - MDL Rxnfile
rxn:V3 - MDL Extended Rxnfile
sdf - MDL SDfile
sdf:V3 - MDL SDfile
rdf - MDL RDfile
skc - SKC File Format
cdx - CDX File Format
cml - Chemical Markup Language / CML
smiles - SMILES
smarts - SMARTS
inchi - InChI
peptide:1 - Peptide Sequence
peptide:3 - Peptide Sequence
mol2 - Tripos Mol2
sybyl - Tripos SYBYL molfile
pdb - Protein Data Bank / PDB
xyz - XYZ
cube - Gaussian Cube
pdf - Portable Document Format / PDF
name - Name
csv - CSV
smiles:
name
arom
stereo
uniq
r1
H
SDData
header
SDF:
V3000
generic:
+2D
+3D
+IUPAC name
gzip
parts2mols
enummarkush
Misc:
verbose
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