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"babel -H fpt" - Fingerprint Help Information
How to get help information on Open Babel Fingerprints? You can use the "babel -H fpt" command to get help information on Open Babel Fingerprints: fyicenter$ babel -H fpt fpt Fingerprint format Generate or display molecular fingerprints. This format constructs and displays fingerprints and (for mult...
2020-11-22, 403👍, 0💬

Molecule FYI-1000181
Molecule Summary: ID: FYI-1000181 SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2 )C3=CC=NC=C3)C4=CC=C(C=C4)FReceived at FYIcenter.com on: 2020-10-27
2020-11-22, 316👍, 0💬

Molecule FYI-1000182
Molecule Summary: ID: FYI-1000182 SMILES: COc2ccc(Cc1ccccc1)c(C)c2 Received at FYIcenter.com on: 2020-10-28
2020-11-22, 428👍, 0💬

Molecule FYI-1000183
Molecule Summary: ID: FYI-1000183 SMILES: C[C@H]1CCO[C@H](C1)C=C(C)C Received at FYIcenter.com on: 2020-11-09
2020-11-22, 301👍, 0💬

Molecule FAQ
Where to find molecule FAQ (Frequently Asked Questions)? I want to learn more about molecules. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about molecules and their structures: Introduction to Molecules What Is Molecule What Is Mol...
2020-11-11, 1491👍, 0💬

"obminimize" - Optimize Geometry/Energy of Molecule
What Is "obminimize" command? How to use it to optimize the geometry and minimize the energy for a given molecule? "obminimize" command is a command line tool provided in the Open Babel package that allows you to optimize the geometry and minimize the energy for a given molecule. Here is the user ma...
2020-11-11, 977👍, 0💬

"obgen" - Generate Molecule 3D Structures
What Is "obgen" command? How to use it to Generate Molecule 3D Structures? "obgen" command is a command line tool provided in the Open Babel package that allows you to Generate Molecule 3D Structures. "obgen" command does the same job as the "babel ... --gen3D" with more options. Here is the user ma...
2020-11-11, 577👍, 0💬

Molecule FYI-1000179
Molecule Summary: ID: FYI-1000179 SMILES: CNC[C@H](O)C1=CC(O)=C(O)C=C1 Received at FYIcenter.com on: 2020-10-16
2020-11-11, 496👍, 0💬

Molecule FYI-1000180
Molecule Summary: ID: FYI-1000180 SMILES: O=C1N[C@H](C)CNC2=C1SC(C=C3)=C 2C4=C3N=C(OC5=NC(Cl)=NC=C5COCC )C=C4Received at FYIcenter.com on: 2020-10-25
2020-11-11, 480👍, 0💬

"obenergy" - Calculate Molecule Energy
What Is "obenergy" command? How to use it to Calculate Molecule Energy? "obenergy" command is a command line tool provided in the Open Babel package that allows you to Calculate Molecule Energy. Here is the user manual of the "obenergy" command. NAME obenergy -- calculate the energy for a molecule S...
2020-11-11, 452👍, 0💬

"obgrep" - Search Molecules using SMARTS
What Is "obgrep" command? How to use it to Search Molecules using SMARTS strings? "obgrep" command is a command line tool provided in the Open Babel package that allows you to Search Molecules using SMARTS strings. "obgrep" command does the same job as the "babel ... -s ..." with more options. Here ...
2020-11-11, 401👍, 0💬

"obfit" - Superimpose Two Molecules
What Is "obfit" command? How to use it to Superimpose Two Molecules? "obfit" command is a command line tool provided in the Open Babel package that allows you to Superimpose Two Molecules. Here is the user manual of the "obfit" command. NAME obfit -- superimpose two molecules based on a pattern SYNO...
2020-11-11, 382👍, 0💬

Molecule FYI-1000178
Molecule Summary: ID: FYI-1000178 SMILES: CNC[C@H](O)c1ccc(O)c(O)c1 Received at FYIcenter.com on: 2020-10-16
2020-11-11, 382👍, 0💬

Molecule FYI-1000176
Molecule Summary: ID: FYI-1000176 SMILES: COCC(=O)Cc1ccc(CC#N)cc1 Received at FYIcenter.com on: 2020-10-14
2020-10-26, 460👍, 0💬

"obprobe" - Create Electrostatic Probe Grid
What Is "obprobe" command? How to use it to optimize the geometry and minimize the energy for a given molecule? "obprobe" command is a command line tool provided in the Open Babel package that allows you to Create Electrostatic Probe Grid for a given molecule. Here is the user manual of the "obprobe...
2020-10-26, 457👍, 0💬

"obrotamer" - Generate Random Rotational Isomers
What Is "obrotamer" command? How to use it to Generate Random Rotational Isomers for a given molecule? "obrotamer" command is a command line tool provided in the Open Babel package that allows you to Generate Random Rotational Isomers for a given molecule. Here is the user manual of the "obrotamer" ...
2020-10-26, 416👍, 0💬

"obrotate" - Rotate Dihedral Angles with SMARTS
What Is "obrotate" command? How to use it to batch-rotate dihedral angles matching SMARTS patterns? "obrotate" command is a command line tool provided in the Open Babel package that allows you to batch-rotate dihedral angles matching SMARTS patterns. Here is the user manual of the "obrotamer" comman...
2020-10-26, 415👍, 0💬

Molecule FYI-1000175
Molecule Summary: ID: FYI-1000175 SMILES: C#Cc1ccc(C(=O)CCCC(C)(C)N)cc1 Received at FYIcenter.com on: 2020-10-13
2020-10-26, 412👍, 0💬

Molecule FYI-1000177
Molecule Summary: ID: FYI-1000177 SMILES: C1CCCC1 Received at FYIcenter.com on: 2020-10-16
2020-10-26, 411👍, 0💬

Install Open Babel Library RPM Package for CentOS
How to download and install Open Babel library RPM package for CentOS computers? Open Babel library RPM package is the base package that is required to support other Open Babel RPM interface packages. So you should download and install it first as shown in this tutorial. 1. Go back to the Linux pack...
2020-10-20, 634👍, 0💬

Open Babel Installation Options on CentOS
What are the options for installing Open Babel on CentOS computers? There are a number of options for installing Open Babel on CentOS computers: 1. Install Open Babel with a newer software package manager like DNF/YUM. This is the easiest option to install Open Babel on CentOS computers, if someone ...
2020-10-20, 457👍, 0💬

Molecule FYI-1000173
Molecule Summary: ID: FYI-1000173 SMILES: CC(C)N(C)C(=O)c2ccc(C#CCCc1ccc (Cl)cc1)cc2Received at FYIcenter.com on: 2020-10-12
2020-10-20, 433👍, 0💬

Running Open Babel on CentOS
Where to find FAQ (Frequently Asked Questions) on running Open Babel on CentOS? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on CentOS. Open Babel Installation Options on CentOS "DNF/YUM search" - No Open Babel Binary Pack...
2020-10-20, 428👍, 0💬

Search Open Babel RPM Packages for CentOS
How to search for Open Babel RPM binary packages for CentOS computers? You can follow this tutorial to search for Open Babel RPM binary packages for CentOS computers. 1. Before searching the Internet for any RPM binary packages, you need to know the architecture type of your computer. This can be do...
2020-10-20, 425👍, 0💬

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