How do I open an SDF file using the CDK? cdk sdf opensource Solution 1 answer 2 followers Follow Answer Flag Noel O'Boyle about 3 years ago
Convert SDF format to XML format sdf xml inchi Solution 1 answer 1 follower Follow Answer Flag Sashikiran about 3 years ago
Erroneous stereoisomer generating 2D sdf from SMILES (using gen2d). BUG in openbabel 2.3.0? smiles sdf 2d stereochemistry 4 answers 3 followers Follow Answer Flag wdiwdi about 2 years ago
Using Bioclipse to manipulate SDF files bioclipse sdf Solution 1 answer 1 follower Follow Answer Flag Jason about 3 years ago
Can the SDF format be used with 0D data and still preserve stereochemistry? sdf molecular-representation stereochemistry 0 answers Follow Answer Flag Noel O'Boyle almost 2 years ago
How can I add a SDF property field to the SDF title line ? sdf property field title Solution 2 answers 4 followers Follow Answer Flag Bruno Bienfait over 2 years ago
How do I convert 3D SDF to non-aromatic SMILES with stereo? openbabel smiles sdf Solution 3 answers 1 follower Follow Answer Flag Dmitry Pavlov about 3 years ago
How to split large SDF files into series of smaller files? sdf 4 answers 2 followers Follow Answer Flag wdiwdi over 2 years ago
Has anyone got experience of round-tripping 2D SDF-SMILES-SDF and its effect on stereochemistry? smiles stereochemistry loss sdf conversion 3 answers 3 followers Follow Answer Flag Dmitry Pavlov over 2 years ago
What is the minimum needed to correctly identify records in an SD file? sdf Solution 1 answer Follow Answer Flag Andrew Dalke over 2 years ago
Can anyone suggest a good (free) program for viewing SDF files? structure software sdf tool 8 answers 4 followers Follow Answer Flag Dave almost 2 years ago
Best way to convert a muti-compound .smi file to a .mol (or .sdf) file? mol-file sdf smiles openbabel bioclipse Solution 5 answers 2 followers Follow Answer Flag Dmitry Pavlov over 2 years ago
SMILES to SDF (+ Stereochemistry) cdk sdf smiles stereochemistry 3 answers Follow Answer Flag wdiwdi over 1 year ago
Is R a valid atom symbol in a SD file? sdf format nci cdk 1 answer Follow Answer Flag wdiwdi over 1 year ago
Can CDK automatically assign formal charges to an SDF? cdk charge sdf 2 answers Follow Answer Flag Antoni Valencia over 1 year ago
Are there any opensource tools that allow you to evaluate 2 fields within an SDF file? sdf 3 answers Follow Answer Flag Kyle Lutz over 1 year ago
How to extract selected molecules from big sdf file? python sdf 4 answers 1 follower Follow Answer Flag Mikhail 11 months ago
Reading SDF/ MOl file to Adjacency matarix and analysis cheminformatics descriptor sdf 1 answer 1 follower Follow Answer Flag wolf ihlenfeldt 3 months ago