Hello,
I am writing because I am seeking your help.
I have a program that requires this input parameter
"reader1 = Chem.SDMolSupplier("C:\Test/testsdf.sdf")"
"writer = Chem.SDWriter("C:\Data\test_out.sdf")"
I liked to read a file directly "*. smi " using this command
"reader1 = Chem.MolFromSmiles(C:\Test/testsmi.smi")"
"writer = Chem.SDWriter("C:\Data\test_out.sdf")"
My smi file is this latter type
cccc...@](C)(C(C)C)O ZINC02508045
C1C=CC[C@@h]...@h]1oc(=O)O2 ZINC17163557
C[C@@]12CCC3(C[C@@h]1cc...@]2(C#C)O)OCCO3 ZINC01616187
COc1ccc(cc1OCc2cccc3c2cccc3)C=O ZINC05294043
CC(=O)OC[C@@h]1c...@](O1)(C)Cc2ccccc2 ZINC01641674
CC(C)C(=C1C(=O)c2ccccc2C1=O)O ZINC01592093
c1ccc2c(c1)ccc3c2ccc4c3...@h](C4=O)O ZINC06118532
c1cc(ccc1C=O)OCC2CCCCC2 ZINC19806585
C1CCC(C1)[...@h]2ccc[c@H]2O ZINC02168867
COc1cccc(c1)C(=O)/C=C/c2ccc3c(c2)OCCO3 ZINC05128906
Cc1cc(c(o1)C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 ZINC04930263
c...@h]1ccc[c@]2(C1=CC(=O)CC2)C ZINC05081132
CC(=O)/C(=C/c1ccco1)/C(=O)OC(C)(C)C ZINC01673320
C[C@@H](CC[C@@H](C(=C)C)O)C=C ZINC06020645
CC[C@@]12c...@h]3c4ccc(cc4c...@h]3[c@@h]1...@h]([C@@H]2O)O)O ZINC17424830
C[C@@]1(C[C@@H]2CCCC[C@@H]2C[C@@]1(C)O)COC ZINC05464622
CC(C)(C)C(=O)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 ZINC01940013
c1ccc(cc1)c2coc3ccccc3c2=O ZINC00895390
Cc1cccc2c1C3c4c(cccc4C(=O)CC3CC2=O)C ZINC01601995
CC(C)[C@@H]1C[C@@H]([C@@](C=C1)(C)O)O ZINC14588844
Do you know how I can do?
Thank you
Moretti Cédric
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