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"DNF/YUM search" - No Open Babel Binary Package
Is there any Open Babel binary package ready to be installed with DNF/YUM on CentOS systems? The answer is no. "dnf search" command returns no matches: fyicenter$ yum search babel ============================== =====================Name Exactly Matched: babel babel.noarch : Tools for internationaliz...
2020-10-20, 391👍, 0💬

Molecule FYI-1000174
Molecule Summary: ID: FYI-1000174 SMILES: N#CCCC(Br)(Cc1ccccc1)Cc2ccccc2 Received at FYIcenter.com on: 2020-10-12
2020-10-20, 294👍, 0💬

Install Open Babel from Source Code on CentOS
How to download and instal Open Babel from source code on CentOS computers? I want to build the binary programs by myself. If you want to build the Open Babel binary programs from source code yourself, you can follow this tutorial. 1. Go to Open Babel Code Repository at https://sourceforge.net/proje. ..
2020-10-10, 688👍, 0💬

Molecule FYI-1000172
Molecule Summary: ID: FYI-1000172 SMILES: COc1cc(/C=C/c2cc(/C=C/c3ccc(O) c(OC)c3)[nH]n2)ccc1OReceived at FYIcenter.com on: 2020-10-06
2020-10-10, 488👍, 0💬

Molecule FYI-1000171
Molecule Summary: ID: FYI-1000171 SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C= C(C=C3O2)O)O)O)O)OReceived at FYIcenter.com on: 2020-10-05
2020-10-10, 486👍, 0💬

Install Open Babel CLI RPM Package for CentOS
How to download and install Open Babel CLI (Command Line Interface) RPM package for CentOS computers? Open Babel CLI RPM package offers a number of pre-build command line tools for you convert and manipulate molecule data from one format to another format using Open Babel library. You can follow thi...
2020-10-10, 463👍, 0💬

Molecule FYI-1000170
Molecule Summary: ID: FYI-1000170 SMILES: FFC=CF Received at FYIcenter.com on: 2020-09-20
2020-10-10, 432👍, 0💬

Molecule FYI-1000169
Molecule Summary: ID: FYI-1000169 SMILES: FC=C(H)F Received at FYIcenter.com on: 2020-09-20
2020-10-10, 332👍, 0💬

Molecule FYI-1000168
Molecule Summary: ID: FYI-1000168 SMILES: F(H)C=C(H)F Received at FYIcenter.com on: 2020-09-20
2020-10-10, 298👍, 0💬

What Is Tanimoto coefficient
What Is Tanimoto coefficient? Tanimoto coefficient is a metric (or score) to measure the similarity of two sets of elements. Tanimoto coefficient can be simply defined as the ratio of the intersection of the two sets over the union of the two sets. More precisely, the Tanimoto coefficient of set A a...
2020-09-30, 964👍, 0💬

"babel ... -f # -l #" - Split Large Molecule File
How to split a file with a large number of molecules? You can split a file with a large number of molecules into smaller files by extracting a chunk of molecules to the output using the "-f #" and "-l #" options. The "-f #" option specifies the index of the first molecule to be extracted. The "-l #"...
2020-09-30, 715👍, 0💬

Molecule FYI-1000166
Molecule Summary: ID: FYI-1000166 SMILES: FC(F)=C(H)F Received at FYIcenter.com on: 2020-09-20
2020-09-30, 468👍, 0💬

Using Fastsearch Fingerprint Index
Where to find FAQ (Frequently Asked Questions) on Using Fastsearch Fingerprint Index with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Using Fastsearch Fingerprint Index with Open Babel. "babel ... -o fs" - Generate Fastsearch In...
2020-09-30, 402👍, 0💬

Molecule FYI-1000167
Molecule Summary: ID: FYI-1000167 SMILES: FC(H)=C(H)F Received at FYIcenter.com on: 2020-09-20
2020-09-30, 288👍, 0💬

Running Open Babel on macOS
Where to find FAQ (Frequently Asked Questions) on running Open Babel on macOS? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on macOS. Open Babel Installation Options on macOS Install Open Babel Binary Package on macOS Open...
2020-09-15, 523👍, 0💬

Open Babel Installation Options on macOS
What are the options for installing Open Babel on macOS computers? There are a number of options for installing Open Babel on macOS computers: 1. Install Open Babel with a pre-compiled binary package. Open Babel 2.3.1 macOS binary package is available. This is the easiest option to install Open Babe...
2020-09-15, 495👍, 0💬

What Is Open Babel, Chemistry Toolbox
What Is Open Babel, Chemistry Toolbox? Open Babel, is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or r...
2020-09-15, 462👍, 0💬

What Is "babel" Command
What Is "babel" Command? How to get command line help for Open Babel? "babel" Command is the command to invoke Open Babel different functionalities by specifying different command options. You can use "babel -H" command to get help information on Open Babel command: fyicenter$ babel -H Open Babel co...
2020-09-15, 429👍, 0💬

Open Babel History and Releases
When Open Babel was first developed? And how many Open Babel releases are there? The original Babel was written by Pat Walters and Matt Stahl in 2001, based on the "convert" program by Ajay Shah. The original Babel is a remarkable chemistry file conversion tool. Pat Walters and Matt Stahl rewrote Ba...
2020-09-15, 420👍, 0💬

Molecule FYI-1000165
Molecule Summary: ID: FYI-1000165 SMILES: Received at FYIcenter.com on: 2020-08-17
2020-08-25, 437👍, 0💬

"babel -i fs ... -s ... -at n" - Top n Similarity Search
How to perform a top 10 similarity search using the fastsearch index file with the "babel" command? If you want to perform a top n similarity search using the fastsearch index file, you can use the following "babel" command syntax: babel -i fs index_file output_section -s query_molecule -at n -aa In...
2020-08-25, 419👍, 0💬

"babel -i fs ..." - Fingerprint Index Based Search
How to perform a Fingerprint Index Based Search with the "babel" command? You can perform a Fingerprint Index Based Search with the "babel" command using the "-i fs" option to specify the fingerprint index file as the input. For more information, read the help document on fastsearch index file forma...
2020-08-25, 412👍, 0💬

"Difficulty opening ..." Error Using Fastsearch Index
Why am I getting this "Difficulty opening ..." error using Fastsearch Index files? When you are using a fastsearch index file as the input, you must keep the original molecule data files in the original location, because the index file has references to the original data files. If those original dat...
2020-08-25, 411👍, 0💬

"babel ... -o fs" - Generate Fastsearch Index
What is Open Babel Fastsearch Index file? How to generate it with the "babel" command? Fastsearch index file is an Open Babel specific binary file that stores pre-calculated fingerprints and their indexes for multiple molecules. Fastsearch index file can improve similarity search significantly faste...
2020-08-25, 409👍, 0💬

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