FYI Center for Biotechnology Professionals: Molecule

JSME Molecule Online Editor
How to create and edit a molecule structure with JSME molecule editor? To help you to create and edit a molecule structure, FYIcenter.com provides this JSME Molecule Online Editor tool. All you need to do is to click a menu icon and starts to draw a molecule by adding one part at a time. When you ar... 2022-07-06, 1944👍, 1💬

1 2 3 4 5 6 … > >> Sort: Rank

"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... 2022-08-17, 1514👍, 1💬

💬 2022-08-17 Nathjanan: Hello, How can I optimize small molecues? obminimize -ff MMFF94 -n 1000 *.mol2 Is this command correct? Thanks

Molecule FYI-1001381
Molecule Summary: ID: FYI-1001381 SMILES: Received at FYIcenter.com on: 2022-06-21 2022-07-26, 127👍, 0💬

Molecule FYI-1001390
Molecule Summary: ID: FYI-1001390 SMILES: Received at FYIcenter.com on: 2022-06-28 2022-07-26, 123👍, 0💬

Molecule FYI-1001392
Molecule Summary: ID: FYI-1001392 SMILES: Received at FYIcenter.com on: 2022-06-28 2022-07-26, 122👍, 0💬

Molecule FYI-1001377
Molecule Summary: ID: FYI-1001377 SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C( C=C3O2)Cl)ClReceived at FYIcenter.com on: 2022-06-19 2022-07-26, 122👍, 0💬

Molecule FYI-1001375
Molecule Summary: ID: FYI-1001375 SMILES: Oc1cc(Cl)ccc1Oc1ccc(Cl)cn1 Received at FYIcenter.com on: 2022-06-16 2022-07-26, 122👍, 0💬

Molecule FYI-1001374
Molecule Summary: ID: FYI-1001374 SMILES: C1(C(C2=CC=C(OCC3CO3)C=C2)C4=C C=C(OCC5CO5)C=C4)=CC=C(OCC6CO6 )C=C1Received at FYIcenter.com on: 2022-06-16 2022-07-26, 122👍, 0💬

Molecule FYI-1001389
Molecule Summary: ID: FYI-1001389 SMILES: CNC Received at FYIcenter.com on: 2022-06-25 2022-07-26, 121👍, 0💬

Molecule FYI-1001382
Molecule Summary: ID: FYI-1001382 SMILES: Received at FYIcenter.com on: 2022-06-21 2022-07-26, 121👍, 0💬

Molecule FYI-1001380
Molecule Summary: ID: FYI-1001380 SMILES: CCCCC(O)c1cccc(OCc2ccccc2C(=O) OC)c1Received at FYIcenter.com on: 2022-06-21 2022-07-26, 121👍, 0💬

Molecule FYI-1001379
Molecule Summary: ID: FYI-1001379 SMILES: Received at FYIcenter.com on: 2022-06-21 2022-07-26, 121👍, 0💬

Molecule FYI-1001376
Molecule Summary: ID: FYI-1001376 SMILES: CN(C)CCCC3(c1ccc(C(F)(F)F)cc1) OCc2c[c+2](N)ccc23Received at FYIcenter.com on: 2022-06-16 2022-07-26, 121👍, 0💬

Molecule FYI-1001391
Molecule Summary: ID: FYI-1001391 SMILES: Received at FYIcenter.com on: 2022-06-28 2022-07-26, 120👍, 0💬

Molecule FYI-1001388
Molecule Summary: ID: FYI-1001388 SMILES: CC1=NC=C(C(=C1O)C(=O)O)CO Received at FYIcenter.com on: 2022-06-24 2022-07-26, 120👍, 0💬

Molecule FYI-1001387
Molecule Summary: ID: FYI-1001387 SMILES: CC1=CC(=CC=C1)NC(=O)OC2=CC=CC( =C2)NC(=O)OCReceived at FYIcenter.com on: 2022-06-24 2022-07-26, 120👍, 0💬

Molecule FYI-1001383
Molecule Summary: ID: FYI-1001383 SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC =CC(=C3)C(=O)OReceived at FYIcenter.com on: 2022-06-22 2022-07-26, 120👍, 0💬

Molecule FYI-1001378
Molecule Summary: ID: FYI-1001378 SMILES: CC(C)OP(=O)(C)F Received at FYIcenter.com on: 2022-06-19 2022-07-26, 120👍, 0💬

Molecule FYI-1001373
Molecule Summary: ID: FYI-1001373 SMILES: Received at FYIcenter.com on: 2022-06-14 2022-07-26, 120👍, 0💬

Molecule FYI-1001372
Molecule Summary: ID: FYI-1001372 SMILES: Received at FYIcenter.com on: 2022-06-14 2022-07-26, 120👍, 0💬

Molecule FYI-1001371
Molecule Summary: ID: FYI-1001371 SMILES: CN=C(CC)O Received at FYIcenter.com on: 2022-06-13 2022-07-26, 120👍, 0💬

Molecule FYI-1001370
Molecule Summary: ID: FYI-1001370 SMILES: C1(=CC=CC=N1)[N] Received at FYIcenter.com on: 2022-06-13 2022-07-26, 119👍, 0💬

Molecule FYI-1001385
Molecule Summary: ID: FYI-1001385 SMILES: CCCc(cc1)ccc1OCC(Nc(cc1)ccc1S( Nc1c(C)c(C)no1)(=O)=O)=OReceived at FYIcenter.com on: 2022-06-22 2022-07-26, 118👍, 0💬

Molecule FYI-1001384
Molecule Summary: ID: FYI-1001384 SMILES: CC1(C)(OC2(CC3(C4(CC(F)C5(=CC( =O)C=CC5(C)(C4(F)(C(O)CC3(C)(C 2(C(=O)CO)(O1)))))))))Received at FYIcenter.com on: 2022-06-22 2022-07-26, 118👍, 0💬

Molecule FYI-1001386
Molecule Summary: ID: FYI-1001386 SMILES: CC1CCN[Pt++]2(NC1)[O-]C(=O)C1( CCC1)C(=O)[O-]2Received at FYIcenter.com on: 2022-06-23 2022-07-26, 117👍, 0💬

1 2 3 4 5 6 … > >> Sort: Rank

Popular Posts:

Convert SDF to SVG u...

How to convert Convert SDF to SVG (Scalable Vector Graphics) using Open Babel? I want to see the mol...

"babel -o fpt ..." C...

How to use "babel -o fpt ..." command to do similarity search? You can use the "fpt" output file for...

Show InChi and InChi...

How to display the InChi string and InChi Key of the molecule in JSME editor? JSME does not offer an...

chemwriter.com - Dra...

What is chemwriter.com? chemwriter.com is a Website that offers ChemWriter as commercial software an...

What Is SDF/Mol V300...

What Is SDF/Mol V3000 file format? SDF (Structural Data File) V3, also call Mol V3000 file, or Molfi...