<< < 1 2 3 4 5 6 7 >   Sort: Date

"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, 183👍, 0💬

Load Molecule Strcuture from File
How to load a molecule structure from a file into PyMol? In order to visualize a molecule in PyMol, you need to load the molecule structure from a file first. 1. Start PyMol and click the "File &gt; Open" menu. You see the file open dialog box. 2. Find and select the "Molecule-HY-001.sdf" file, ...
2020-04-16, 183👍, 0💬

What Is PyMol
What Is PyMol? PyMol is a powerful molecule visualization software with the following main features: Able to produce high-quality graphics ready for publications. Able to create movies. Able to measure bond distances and angles. Has an extensive help system. Structures can be sliced, diced, and reas...
2020-04-16, 183👍, 0💬

"babel -a..." Command - Extra Input Reading Options
How to pass extra options for "babel" to read input data of a specific format? If you want to pass extra options for "babel" to read input data of a specific format, you need to use one or more "-a..." options in the "babel" command line as shown in the following syntax: babel input_section output_s...
2020-07-15, 182👍, 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, 181👍, 0💬

chemwriter.com - Draw/View Molecules
What is chemwriter.com? chemwriter.com is a Website that offers ChemWriter as commercial software and an online tool to draw and view and search molecules. Molecule Online Tool - chemwriter.com For more information, visit chemwriter.com.     ⇒ peter-ertl.com/jsme - JSME (JavaScript Molecule Editor)...
2020-04-16, 181👍, 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, 180👍, 0💬

JSME User Interface Menu Icons
What are JSME user interface menu icons? JSME user interface menu icons are organized into 3 groups: 1. Action Icons - Located on in the first icon bar on top of the editor. Actions icons allows you to perform the following actions: SMILES - Displays the SMILES string of everything in the editor. De...
2020-05-18, 179👍, 0💬

Molecule FYI-1000047
Molecule Summary: ID: FYI-1000047 SMILES: Cc1c(C)c(C)c(C)c(C)c1C Received at FYIcenter.com on: 2020-05-18
2020-05-18, 177👍, 0💬

Other Open Babel Commands
Where to find FAQ (Frequently Asked Questions) on Open Babel Commands other than the format converter? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Open Babel Commands other than the format converter. List of Open Babel Commands "obchiral" -...
2020-11-22, 176👍, 0💬

"obconformer" - Generate Best Conformer
What Is "obconformer" command? How to use it to generate the best conformer from a base molecule? "obconformer" command is a command line tool provided in the Open Babel package that allows you to generate the best conformer from a base molecule. Here is the user manual of the "obconformer" command....
2020-11-22, 176👍, 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, 176👍, 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, 175👍, 0💬

What Is Molecule Structure
What Is Molecule Structure? Molecule Structure is a graphical model of a molecule on how its atoms are bonded together, with information about atom types/sizes/locations and bound types. Molecule Structures are 3-dimensional structures which can be visualized in different models. Two examples are li...
2020-04-16, 175👍, 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, 172👍, 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, 172👍, 0💬

"obchiral" - Print Chirality Information
What Is "obchiral" command? How to use it to Print Chirality Information? "obchiral" command is a command line tool provided in the Open Babel package that allows you to calculate and print molecule chirality information. Here is the user manual of the "obchiral" command. NAME obchiral -- print mole...
2020-11-22, 171👍, 0💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 170👍, 0💬

Molecule FYI-1000046
Molecule Summary: ID: FYI-1000046 SMILES: Received at FYIcenter.com on: 2020-05-15
2020-05-15, 168👍, 0💬

"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, 167👍, 0💬

Molecule FYI-1000165
Molecule Summary: ID: FYI-1000165 SMILES: Received at FYIcenter.com on: 2020-08-17
2020-08-25, 166👍, 0💬

Molecule FYI-1000156
Molecule Summary: ID: FYI-1000156 SMILES: CC.CC Received at FYIcenter.com on: 2020-06-17
2020-07-07, 166👍, 0💬

List of Open Babel Commands
How many command line tools are provided in the Open Babel package? By default, Open Babel package provides the following command line tools: babel (obabel) - Convert chemistry and molecular modeling data files. obchiral - Print molecular chirality information. obconformer - Generate conformer coord...
2020-11-22, 162👍, 0💬

Molecule FYI-1000170
Molecule Summary: ID: FYI-1000170 SMILES: FFC=CF Received at FYIcenter.com on: 2020-09-20
2020-10-10, 149👍, 0💬

<< < 1 2 3 4 5 6 7 >   Sort: Date