Open Babel Web Interface at cheminfo.org

Q

Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer.

✍: FYIcenter.com

A

You can try Open Babel on the Web interface provided by cheminfo.org.

1. Go to http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html. You see the Web interface that allows you to convert molecule files from one format to another using Open Babel.

2. Enter 'c1ccccc1' in the input box on the left.

3. Select "smi - SMILES format" as the input format.

4. Select "sdf - MDL MOL format" as the output format.

5. Select "3D" as the "Generate coordinates" option.

6. Select "Delete" as the "Add / Delete hydrogens" option.

7. Click "Convert" button. You see molecule data in SDF format displayed in the output box on the right.

Open Babel Web Interface at cheminfo.org

⇒ openbabel.cheminfo.org/v1/convert - Web API

⇐ Open Babel History and Releases

⇑ Introduction to Open Babel

⇑⇑ Open Babel Tutorials

2023-01-24, 159👍, 0💬

Molecule FYI-1001988
Molecule Summary: ID: FYI-1001988 SMILES: [H+].C1=NC2=C(N1COCCO)N=C(NC2= O)NReceived at FYIcenter.com on: 2023-01-11 2023-02-05, 253👍, 0💬

Molecule FYI-1001996
Molecule Summary: ID: FYI-1001996 SMILES: CCCCCC=CCC=CCCCCCCCCC(OC(=O)CC CN(C)C)CCCCCCCCC=CCC=CCCCCCReceived at FYIcenter.com on: 2023-01-13 2023-02-05, 244👍, 0💬

Molecule FYI-1001987
Molecule Summary: ID: FYI-1001987 SMILES: C(=O)(C(C(C(C(C(C(C(F)(F)F)(F) F)(F)F)(F)F)(F)F)(F)F)(F)F)OReceived at FYIcenter.com on: 2023-01-11 2023-02-03, 237👍, 0💬

Molecule FYI-1001986
Molecule Summary: ID: FYI-1001986 SMILES: NC(C1=C[N+]([C@@H]2O[C@@H]([C@ H]([C@H]2O)O)COP([O-])(OP(O)(O C[C@H]3O[C@@H](N4C=NC5=C4N=CN= C5N)[C@@H]([C@@H]3O)O)=O)=O)=C C=C1)=OReceived at FYIcenter.com on: 2023-01-11 2023-02-03, 229👍, 0💬

Molecule FYI-1001979
Molecule Summary: ID: FYI-1001979 SMILES: CC(C)(COC(=O)C=C)COC(=O)C=C Received at FYIcenter.com on: 2023-01-10 2023-02-03, 224👍, 0💬

Molecule FYI-1001980
Molecule Summary: ID: FYI-1001980 SMILES: CC(CCOC(=O)C=C)OC(=O)C=C Received at FYIcenter.com on: 2023-01-10 2023-02-03, 222👍, 0💬

openbabel.cheminfo.org/v1/convert - Web API
How to make a HTTP request to the Open Babel Web API at openbabel.cheminfo.org/v1/conv ert?You can call the Open Babel Web API at https://openbabel.cheminfo.org /v1/convertwith a HTTP POST request as shown below. 1. Use "curl" command to call the Web API to generate a 3D SDF file from a given SMILES... 2023-01-24, 163👍, 0💬

Open Babel Web Interface at cheminfo.org
Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer. You can try Open Babel on the Web interface provided by cheminfo.org. 1. Go to http://www.cheminfo.org/Chemis try/Cheminformatics/FormatConv erter/index.html. You see the Web interface tha... 2023-01-24, 160👍, 0💬

"-o svg -xd -d" Bug in Open Babel 3.1.1
Why "obabel ... -o svg -xd -d" is not able to remove hydrogens? It seems to be code bug in the "obabel" command in Open Babel 3.1.1 release. In Open Babel 3.1.1 release, options -xd and -d are not respected together for SVG output in the "obabel -i sdf -o svg -xC -xt -xP400 -xd -d" command. For exam... 2023-01-24, 153👍, 0💬

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