[Kalzium] [Bug 189618] Unable to load a molecule in molecular editor
Linuxcomics
linuxcomics at neuf.fr
Wed Apr 22 16:47:56 CEST 2009
https://bugs.kde.org/show_bug.cgi?id=189618
--- Comment #6 from Linuxcomics <linuxcomics neuf fr> 2009-04-22 16:47:54 ---
When I use the command 'babel -H', there is a message which says :
"The following file formats are recognized:
acr -- ACR format [Read-only]
adf -- ADF cartesian input format [Write-only]
adfout -- ADF output format [Read-only]
alc -- Alchemy format
arc -- Accelrys/MSI Biosym/Insight II CAR format [Read-only]
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
cac -- CAChe MolStruct format [Write-only]
caccrt -- Cacao Cartesian format
cache -- CAChe MolStruct format [Write-only]
cacint -- Cacao Internal format [Write-only]
can -- Canonical SMILES format.
car -- Accelrys/MSI Biosym/Insight II CAR format [Read-only]
ccc -- CCC format [Read-only]
cdx -- ChemDraw binary format [Read-only]
cdxml -- ChemDraw CDXML format
cht -- Chemtool format [Write-only]
cif -- Crystallographic Information File
ck -- ChemKin format
cml -- Chemical Markup Language
cmlr -- CML Reaction format
com -- Gaussian 98/03 Input [Write-only]
copy -- Copies raw text [Write-only]
crk2d -- Chemical Resource Kit diagram(2D)
crk3d -- Chemical Resource Kit 3D format
csr -- Accelrys/MSI Quanta CSR format [Write-only]
cssr -- CSD CSSR format [Write-only]
ct -- ChemDraw Connection Table format
cub -- Gaussian cube format
cube -- Gaussian cube format
dat -- Generic Output file format [Read-only]
dmol -- DMol3 coordinates format
dx -- OpenDX cube format for APBS
ent -- Protein Data Bank format
fa -- FASTA format [Write-only]
fasta -- FASTA format [Write-only]
fch -- Gaussian formatted checkpoint file format [Read-only]
fchk -- Gaussian formatted checkpoint file format [Read-only]
fck -- Gaussian formatted checkpoint file format [Read-only]
feat -- Feature format
fh -- Fenske-Hall Z-Matrix format [Write-only]
fix -- SMILES FIX format [Write-only]
fpt -- Fingerprint format [Write-only]
fract -- Free Form Fractional format
fs -- FastSearching
fsa -- FASTA format [Write-only]
g03 -- Gaussian98/03 Output [Read-only]
g92 -- Gaussian98/03 Output [Read-only]
g94 -- Gaussian98/03 Output [Read-only]
g98 -- Gaussian98/03 Output [Read-only]
gal -- Gaussian98/03 Output [Read-only]
gam -- GAMESS Output [Read-only]
gamess -- GAMESS Output [Read-only]
gamin -- GAMESS Input
gamout -- GAMESS Output [Read-only]
gau -- Gaussian 98/03 Input [Write-only]
gjc -- Gaussian 98/03 Input [Write-only]
gjf -- Gaussian 98/03 Input [Write-only]
gpr -- Ghemical format
gr96 -- GROMOS96 format [Write-only]
gukin -- GAMESS-UK Input
gukout -- GAMESS-UK Output
gzmat -- Gaussian Z-Matrix Input
hin -- HyperChem HIN format
inchi -- InChI format
inp -- GAMESS Input
ins -- ShelX format [Read-only]
jin -- Jaguar input format [Write-only]
jout -- Jaguar output format [Read-only]
k -- Compare molecules using InChI [Write-only]
log -- Generic Output file format [Read-only]
mcdl -- MCDL format
mcif -- Macromolecular Crystallographic Information
mdl -- MDL MOL format
ml2 -- Sybyl Mol2 format
mmcif -- Macromolecular Crystallographic Information
mmd -- MacroModel format
mmod -- MacroModel format
mol -- MDL MOL format
mol2 -- Sybyl Mol2 format
molden -- Molden input format [Read-only]
molreport -- Open Babel molecule report [Write-only]
moo -- MOPAC Output format [Read-only]
mop -- MOPAC Cartesian format
mopcrt -- MOPAC Cartesian format
mopin -- MOPAC Internal
mopout -- MOPAC Output format [Read-only]
mpc -- MOPAC Cartesian format
mpd -- Sybyl descriptor format [Write-only]
mpqc -- MPQC output format [Read-only]
mpqcin -- MPQC simplified input format [Write-only]
msi -- Accelrys/MSI Cerius II MSI format [Read-only]
msms -- M.F. Sanner's MSMS input format [Write-only]
nw -- NWChem input format [Write-only]
nwo -- NWChem output format [Read-only]
out -- Generic Output file format [Read-only]
outmol -- DMol3 coordinates format
pc -- PubChem format [Read-only]
pcm -- PCModel Format
pdb -- Protein Data Bank format
png -- PNG files with embedded data
pov -- POV-Ray input format [Write-only]
pqr -- PQR format
pqs -- Parallel Quantum Solutions format
prep -- Amber Prep format [Read-only]
qcin -- Q-Chem input format [Write-only]
qcout -- Q-Chem output format [Read-only]
report -- Open Babel report format [Write-only]
res -- ShelX format [Read-only]
rsmi -- Reaction SMILES format
rxn -- MDL RXN format
sd -- MDL MOL format
sdf -- MDL MOL format
smi -- SMILES format
smiles -- SMILES format
sy2 -- Sybyl Mol2 format
t41 -- ADF TAPE41 format [Read-only]
tdd -- Thermo format
test -- Test format [Write-only]
therm -- Thermo format
tmol -- TurboMole Coordinate format
txt -- Title format
txyz -- Tinker MM2 format [Write-only]
unixyz -- UniChem XYZ format
vmol -- ViewMol format
xed -- XED format [Write-only]
xml -- General XML format [Read-only]
xtc -- XTC format [Read-only]
xyz -- XYZ cartesian coordinates format
yob -- YASARA.org YOB format
zin -- ZINDO input format [Write-only]"
When I try `babel methanol.cml methanol.xyz`, the translation fails.
"babel methanol.cml methanol.xyz
==============================
*** Open Babel Error in OpenAndSetFormat
Cannot open methanol.cml
0 molecules converted
1 errors"
Bests regards,
Linuxcomics.
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