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New York, New York, United States
我叫江奕賢啦

2003年11月13日

sybyl servers in umdnj
achilles.umdnj.edu are pretty fast due to users usually use apollo and titan.

MDL mol file format works fine on NCI, so I planed to download MDL mol file then convert to sybyl mol2 file format. (maybe use openbabel)
tested by using babel to convert it. it works this way.
I don't know why files generated by nci can't be read by sybyl, ex: pdb not work, sybyl mol2 not work. mol not work, should be convert by using babel.

when babel don't work, put the files in a dos8 directory, ex: use d:\temp instead of d:\program files\...

now, the only thing left is, how can I align those compounds by the core substructure automatically.

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