Great. Good to know what the problem was too. On 29 Sep 2016 5:43 p.m., "Jianshu Hu" <[email protected]> wrote:
> Problem solved!!!! > > DO NOT USE THE WHEEL FROM http://www.lfd.uci.edu/~ > gohlke/pythonlibs!!!!!!!!!!! > > USE THE ONE FROM PYTHON PIP!!!!!! > > They have the same names but not the same contents. > > 😤😤😤😤 > > On Fri, Sep 30, 2016 at 12:03 AM, Jianshu Hu <[email protected]> > wrote: > >> Yes, I install the 32-bit openbabel. >> And yes, a lot of formats are missing. >> However the GUI version can handle these format very well. >> I think there is something wrong when binding the obabel to python in " >> pythong-binding: >> openbabel-2.4.0-cp27-cp27m-win32.whl" >> However, I am not familiar with this part. So I don't know where goes >> wrong. >> The only thing I can ensure is that the binding is for 2.40 version and >> python2.7 >> >> I have no idea what is going on in pybel. >> >> Sad. :( >> >> On Thu, Sep 29, 2016 at 11:00 PM, Noel O'Boyle <[email protected]> >> wrote: >> >>> (ccing to openbabel-discuss as this mailing list is closed) >>> >>> I notice that others formats are missing such as Mol file. There are 6 >>> or 7 common formats loaded from formats_common.obf and these are all >>> missing. It must be that your virus checker or Windows firewall is >>> blocking that .obf file. I don't understand how the GUI can handle it >>> correctly though in that case. ?? >>> >>> - Noel >>> >>> On 29 September 2016 at 15:54, Noel O'Boyle <[email protected]> >>> wrote: >>> > Did you install the 32-bit version of Open Babel? >>> > >>> > - Noel >>> > >>> > On 29 September 2016 at 15:07, Jianshu Hu <[email protected]> >>> wrote: >>> >> Hi everyone, >>> >> >>> >> I met a problem while trying to use openbabel in Python. >>> >> >>> >> Env: >>> >> python: Python 2.7.12 (v2.7.12:d33e0cf91556, Jun 27 2016, >>> 15:19:22) >>> >> [MSC v.1500 32 bit (Intel)] on win32 >>> >> obabel: Open Babel 2.4.0 -- Sep 22 2016 -- 18:19:48 >>> >> OS: win10 >>> >> pythong-binding: openbabel-2.4.0-cp27-cp27m-win32.whl >>> >> >>> >> Problem: >>> >>>>> from pybel import * >>> >>>>> mymol=readstring("smi","CCCC") >>> >> Traceback (most recent call last): >>> >> File "<stdin>", line 1, in <module> >>> >> File "C:\Python27\lib\site-packages\pybel.py", line 199, in >>> readstring >>> >> raise ValueError("%s is not a recognised Open Babel format" % >>> format) >>> >> ValueError: smi is not a recognised Open Babel format >>> >> >>> >> Trying to find out what happend: >>> >> >>> sorted(informats) >>> >> ['CONFIG', 'CONTCAR', 'CONTFF', 'HISTORY', 'MDFF', 'POSCAR', 'POSFF', >>> >> 'VASP', 'abinit', 'acesout', 'acr', 'adfout', 'alc', 'aoforce', 'arc', >>> >> 'axsf', 'bgf', 'box', 'bs', 'c09out', 'c3d1', 'c3d2', 'caccrt', 'car', >>> >> 'castep', 'ccc', 'cdx', 'cif', 'ck', 'crk2d', 'crk3d', 'ct', 'cub', >>> 'cube', >>> >> 'dallog', 'dalmol', 'dat', 'dmol', 'dx', 'exyz', 'fa', 'fasta', 'fch', >>> >> 'fchk', 'fck', 'feat', 'fhiaims', 'fract', 'fs', 'fsa', 'g03', 'g09', >>> 'g92', >>> >> 'g94', 'g98', 'gal', 'gam', 'gamess', 'gamin', 'gamout', 'got', 'gpr', >>> >> 'gro', 'gukin', 'gukout', 'gzmat', 'hin', 'inp', 'ins', 'jin', 'jout', >>> >> 'log', 'lpmd', 'mcdl', 'mcif', 'mmcif', 'mmd', 'mmod', 'mold', >>> 'molden', >>> >> 'molf', 'moo', 'mop', 'mopcrt', 'mopin', 'mopout', 'mpc', 'mpo', >>> 'mpqc', >>> >> 'msi', 'nwo', 'orca', 'out', 'outmol', 'output', 'pcm', 'pdbqt', >>> 'png', >>> >> 'pos', 'pqr', 'pqs', 'prep', 'pwscf', 'qcout', 'res', 'rsmi', 'rxn', >>> >> 'siesta', 'smy', 't41', 'tdd', 'text', 'therm', 'tmol', 'txt', 'txyz', >>> >> 'unixyz', 'vmol', 'xsf', 'xyz', 'yob'] >>> >> >>> >> I found there is no smi in pybel.informats, however the Openbabel >>> GUI >>> >> can read or write smi format correctly. >>> >> >>> >> Where goes wrong? The pybel no loner support smi format? >>> >> >>> >> PS: the openbabel in python has the same problem >>> >> >>> >> Thank you for helps, >>> >> >>> >> JS Hu >>> >> >>> >> ------------------------------------------------------------ >>> ------------------ >>> >> >>> >> _______________________________________________ >>> >> OpenBabel-scripting mailing list >>> >> [email protected] >>> >> https://lists.sourceforge.net/lists/listinfo/openbabel-scripting >>> >> >>> >> >> >
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