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Molecule FYI-1000267
Molecule Summary: ID: FYI-1000267 SMILES: N[17C@@](F)([18C])C(=[19O])O Received at FYIcenter.com on: 2021-02-24
2021-04-04, 1061🔥, 0💬

Substructure Search with Open Babel
Where to find FAQ (Frequently Asked Questions) on Substructure Search with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Substructure Search with Open Babel. "babel -s ..." Command - Substructure Search Substructure Search with Wi...
2020-06-08, 1058🔥, 0💬

"obabel ... -o svg" Command - Generate SVG from SMILES
How to generate a molecule SVG picture from a SMILES string? The easiest way to generate a molecule SVG picture from a SMILES string is to use the the "babel ... -o svg" command. For example, the following command generate a SVG picture of the tyrosine molecule from a SMILES string: fyicenter$ obabe...
2021-07-19, 1057🔥, 0💬

Molecule FYI-1000165
Molecule Summary: ID: FYI-1000165 SMILES: Received at FYIcenter.com on: 2020-08-17
2020-08-25, 1054🔥, 0💬

Molecule FYI-1000277
Molecule Summary: ID: FYI-1000277 SMILES: C(S)O Received at FYIcenter.com on: 2021-03-02
2021-04-17, 1045🔥, 0💬

Molecule FYI-1000187
Molecule Summary: ID: FYI-1000187 SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C /C(=C/C=C/C(=C/C=C/C=C(\\C)/C= C/C=C(\\C)/C=C/[C@H]2C(=C[C@@H ](CC2(C)C)O)C)/C)/CReceived at FYIcenter.com on: 2020-11-09
2020-12-15, 1043🔥, 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, 1043🔥, 0💬

Molecule FYI-1000954
Molecule Summary: ID: FYI-1000954 SMILES: CC(C(C(=O)OC)C(=O)OC)C(C(=O)O) NC(=O)C(CC1=CC(=CC=C1)F)NC(=O) CReceived at FYIcenter.com on: 2021-07-28
2021-11-13, 1037🔥, 0💬

dtp.cancer.gov Basic Chemical Database
What is dtp.cancer.gov Basic Chemical Database? chedtp.cancer.gov Basic Chemical Database offers 4 ways to search for DTP open compound collection of 250,000 molecules: Structure search Basic chemical data search Chemical names search Smiles search Molecule Online Database - dtp.cancer.gov For more ...
2020-04-17, 1036🔥, 0💬

Molecule FYI-1000948
Molecule Summary: ID: FYI-1000948 SMILES: COC(=O)C1=CC=C(OCC2=CN(N=N2)C2 =CC=C(Br)C=C2)C=C1Received at FYIcenter.com on: 2021-07-27
2021-09-09, 1034🔥, 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, 1030🔥, 0💬

Open Babel Command Files on macOS
What are Open Babel commands and files installed by the macOS binary package? If you install Open Babel 2.3.1 with the pre-compiled binary package on a macOS computer, you will get a number of Open Babel commands. All Open Babel command files are located in the /usr/local/bin directory: fyicenter$ l...
2020-05-24, 1028🔥, 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, 1026🔥, 0💬

Molecule FYI-1000938
Molecule Summary: ID: FYI-1000938 SMILES: O=S(NC(NC1=C(CCC2)C2=CC=C1C3=C C=NC(OC)=C3)=O)(N(C4=CN(C)N=C4 )C5CCOCC5)=OReceived at FYIcenter.com on: 2021-07-20
2021-08-13, 1025🔥, 0💬

Molecule FYI-1000461
Molecule Summary: ID: FYI-1000461 SMILES: [Cl-].C[N+]1=C2C=CC=CC2=C(C2=C C=CC=C12)NCCReceived at FYIcenter.com on: 2021-07-13
2021-09-09, 1024🔥, 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, 1022🔥, 0💬

"babel" - FP2 Exhaustive Fingerprint Fragments
How to exhaust all possible Open Babel FP2 Fingerprint Fragments in a molecule? The easiest way to exhaust all possible Open Babel FP2 Fingerprint Fragments in a molecule to following this algorithm: Loop through all atoms (except H) in the molecule. Set each atom as the root of a bond-atom tree. An...
2020-12-02, 1021🔥, 0💬

Molecule Online Dabases
Where to find FAQ (Frequently Asked Questions) on molecule online databases? I want to use them to search molecules and their properties. Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on molecule online Databases. pubchem.ncbi.nlm.nih.gov Molecu...
2020-04-17, 1019🔥, 0💬

"obabel ... -o svg -xP300" - Scale SVG Image
How to scale and center a molecule SVG image in a given square area? The default behavior of Open Babel 2.4 is different than 2.3 regarding scaling and centering SVG images. With Open Babel 2.4, the molecule SVG image is defaulted in the center of 200x200 square. With Open Babel 2.3, the molecule SV...
2020-07-22, 1018🔥, 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, 1017🔥, 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, 1016🔥, 0💬

Molecule FYI-1000996
Molecule Summary: ID: FYI-1000996 SMILES: c1(OCC)ccc(CC(N)CNCCN)cc1ClCl Received at FYIcenter.com on: 2021-09-15
2021-12-28, 1015🔥, 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, 1015🔥, 0💬

Skeletal Formula Notations
What notations are used in molecule skeletal formula? There are a number of notations are used Skeletal Formula to simiplify molecule diagrams. 1. Carbon Element Symbols Removed - Since carbon elements are so common in molecules, carbon element symbols are removed from Skeletal Formula diagrams. Whe...
2020-08-03, 1015🔥, 1💬

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