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What does /sci/ use for molecular modeling? Does anything actually

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  3. What does /sci/ use for molecular modeling? Does anything actually
Thread replies: 16
Thread images: 4

Molecular Modeling
2017-06-12 03:53:56 Post No. 8971064
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Molecular Modeling 2017-06-12 03:53:56 Post No. 8971064 [Report]
What does /sci/ use for molecular modeling? Does anything actually produce tertiary structure close to experimental methods?
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Anonymous 2017-06-12 03:56:29 Post No.8971067
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Anonymous 2017-06-12 03:56:29 Post No.8971067 [Report]
>>8971064
LAMMPS.
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Anonymous 2017-06-12 04:04:42 Post No.8971080
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Anonymous 2017-06-12 04:04:42 Post No.8971080 [Report]
>>8971064
Teach yourself C and program the PDEs yourself.

Only reliable solution.
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Anonymous 2017-06-12 04:33:09 Post No.8971109
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Anonymous 2017-06-12 04:33:09 Post No.8971109 [Report]
>>8971080
Hahahaha no, you have to use fortran not C.
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Anonymous 2017-06-12 04:34:46 Post No.8971114
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Anonymous 2017-06-12 04:34:46 Post No.8971114 [Report]
protein modeling
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Molecular Modeling 2017-06-12 04:44:58 Post No.8971123
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Molecular Modeling 2017-06-12 04:44:58 Post No.8971123 [Report]
>>8971067
What do you think of Frog2?
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Anonymous 2017-06-12 06:22:12 Post No.8971208
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Anonymous 2017-06-12 06:22:12 Post No.8971208 [Report]
ADF
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Anonymous 2017-06-12 06:28:07 Post No.8971212
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Anonymous 2017-06-12 06:28:07 Post No.8971212 [Report]
Gaussview
I don't fuck with proteins
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Anonymous 2017-06-12 07:34:53 Post No.8971272
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Anonymous 2017-06-12 07:34:53 Post No.8971272 [Report]
>>8971123
The fuck is that?
>>8971212
Yeah fuck proteins. Shit maybe I'll post some of my sims if this thread is still up.
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Anonymous 2017-06-12 08:10:28 Post No.8971310
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Anonymous 2017-06-12 08:10:28 Post No.8971310 [Report]
What's wrong with Swiss-PdbViewer + POVRay?
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Molecular Modeling 2017-06-12 05:59:54 Post No.8971872
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Molecular Modeling 2017-06-12 05:59:54 Post No.8971872 [Report]
>>8971272
You should, it'd be cool to see what you've got.
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Anonymous 2017-06-12 06:27:41 Post No.8971903
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Anonymous 2017-06-12 06:27:41 Post No.8971903 [Report]
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>>8971872
Not him, but IRC jobs are probably the comfiest to run
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Anonymous 2017-06-12 06:31:06 Post No.8971907
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Anonymous 2017-06-12 06:31:06 Post No.8971907 [Report]
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>>8971903
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Anonymous 2017-06-13 12:36:03 Post No.8973313
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Anonymous 2017-06-13 12:36:03 Post No.8973313 [Report]
>>8971903
Is that an actual TS with a single negative* frequency or you just probing random reaction pathways?
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raj 2017-06-13 03:06:42 Post No.8973476
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raj 2017-06-13 03:06:42 Post No.8973476 [Report]
i use legos LOL
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Anonymous 2017-06-13 06:42:54 Post No.8973779
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Anonymous 2017-06-13 06:42:54 Post No.8973779 [Report]
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>>8973313
Tautomerization of acetaldehyde to ethenol
Its the "actual" transition state IRC path, it'll happen at room temperature but at an extremely slow rate
Thread posts: 16
Thread images: 4
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