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"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💬

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