baoilleach

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Name	baoilleach
Member for	4 months
Seen	yesterday
Website	baoilleach.blogspot.com
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Is there a webservice that can convert a MOL file to a SMILES string?

web-service mol-file

nov 24 at 18:09 Steve Wathen 111●1●3

2

votes

1

answer

78

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How do I open an SDF file using the CDK?

cdk sdf opensource

nov 11 at 18:21 Egon Willighagen♦♦ 340●1●11

1

vote

5

answers

68

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How can I access the CDK from Python?

cdk cinfony python opensource

nov 18 at 17:03 Matteo Floris 149●1●4

1

vote

1

answer

33

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Can the SDF format be used with 0D data and still preserve stereochemistry?

sdf molecular-representation stereochemistry

mar 12 at 16:26 Community♦ 1●1

20

Answers

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Chemoinformatics or cheminformatics?

Easiest way to align two molecules from the command line?

Best way to convert a muti-compound .smi file to a .mol (or .sdf) file?

How can I access the CDK from Python? (3)

What Open Source cheminformatics libraries are available? (2)

How do I change the stereochemistry of atoms in my 3D molecules?

How do I automate the generation of 3D images of molecules?

How do I use the BODR from Python?

is it there around a similar “forum” like this but for drug design and chemoinformatics?

How do I become a Blue Obelisk member?

Connection tables: is there any rule for atom ordering?

“Ligand libraries” generation (and optimization) free tools

What are the free tools for molecular descriptors calculation?

Tanimoto(“raven”, “writing desk”)

Proper MDL molfile atom block line format?

Fingerprint False Positive Benchmark Tool?

Can the SDF format be used with 0D data and still preserve stereochemistry?

Cross-Platform OpenBabel Java interface?

Get coordinates of beads covering the surface of a protein

What are the best free tools for structure database search?

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