Tools for SDF/Mol V3000 File Format

Q

What are tools that support the SDF/Mol V3000 file format?

✍: Guest

A

There are a number of online or standalone tools that support the SDF/Mol V3000 file format.

Open Babel - Can read and write molecules in SDF/Mol V3000 file format.

(Convert SDF to SDF V3)
fyicenter$ obabel FYI-001.sdf -o sdf -O test.sd3 -x3
  1 molecule converted

(Convert SDF V3000 to SDF)
fyicenter$ obabel -i sdf test.sd3 -O test.sdf
  1 molecule converted

JSME (Molecule Editor in JavaScript) - Can read and write molecules in SDF/Mol V3000 file format.

cheminfo.org/Chemistry/2D_to_3D - Can create molecules and write them in SDF/Mol V3000 file format.

Tools that does not support SDF/Mol V3000 file format:

PubChem 3D Viewer v2.0 at https://pubchem.ncbi.nlm.nih.gov/pc3d/.
Online SMILES Translator and Structure File Generator at https://cactus.nci.nih.gov/translate/.

⇒ Stereochemistry, Chirality, Parity

⇐ What Is SDF/Mol V3000 File Format

⇑ Introduction to SDF/Mol V3000 File Format

⇑⇑ SDF/Mol File FAQ

2021-04-04, 140👍, 0💬

Running Open Babel on Windows
Where to find FAQ (Frequently Asked Questions) on running Open Babel on Windows? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on Windows. Install Open Babel Binary Package on Windows Run Open Babel GUI on Windows Structure... 2021-02-17, 325👍, 0💬

Install Open Babel Binary Package on Windows
How to Install Open Babel binary package on Windows computers? The easiest option to install Open Babel on Windows computers is to install the Open Babel pre-compiled binary package as shown in this tutorial.: 1. Go to GitHub Website for Open Babel 3.0.0. 2. Click to download "OpenBabel-3.0.0.exe" f... 2021-02-17, 320👍, 0💬

Stereochemistry, Chirality, Parity
Where to find FAQ (Frequently Asked Questions) in understanding how stereochemistry is supported in SDF/Mol file format? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team in understanding how stereochemistry is supported in SDF/Mol file format. What... 2021-04-04, 148👍, 0💬

Open Babel Options on SDF/Mol Files
What options are offerred in Parity Code to support stereoinformation in SDF/Mol V2000 and V3000 files generated by Open Babel? Here is the documentation of Open Babel 2.4.1 with options listed to support stereoinformation in SDF/Mol V2000 and V3000 files: fyicenter$ obabel -V Open Babel 2.4.1 -- Ma... 2021-03-07, 148👍, 0💬

Stereoinformation Presentation in SDF/Mol File
How Stereoinformation Is Presented in SDF/Mol and SDF/Mol V3000 Files? Ideally stereoinformation should be stored in atom's coordinates, since SDF/Mol files support x, y, and z, 3-dimensional coordinates. However, not all software supports 3-dimensional coordinates. So SDF/Mol file uses 3 types of p... 2021-03-21, 146👍, 0💬

Parity and Stereo with Open Babel
Cam Open Babel support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files? Yes. Open Babel can support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files. But you should use Open Babel 2.4.1 and newer versions. Open Babel 2.3.1 seems to h... 2021-03-07, 145👍, 0💬

Molecule FYI-1000237
Molecule Summary: ID: FYI-1000237 SMILES: CCCCC Received at FYIcenter.com on: 2021-02-04 2021-02-17, 143👍, 0💬

Tools for SDF/Mol V3000 File Format
What are tools that support the SDF/Mol V3000 file format? There are a number of online or standalone tools that support the SDF/Mol V3000 file format. Open Babel - Can read and write molecules in SDF/Mol V3000 file format. (Convert SDF to SDF V3) fyicenter$ obabel FYI-001.sdf -o sdf -O test.sd3 -x3... 2021-04-04, 141👍, 0💬

Molecule FYI-1000236
Molecule Summary: ID: FYI-1000236 SMILES: NCc5ccc4OC3(CCN(C(=O)c2cc(C#Cc 1ccccc1)co2)CC3)Cc4c5Received at FYIcenter.com on: 2021-01-30 2021-02-17, 136👍, 0💬

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