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Structure based predictions: Calculator Plugins & Chemical Terms
 Moderators: gimre@chemaxon.com, lantal, dszisz@chemaxon.com
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No new posts ConformerPlugin: generating less than max defined conformers
1 kai.borst 5696 Tue Mar 01, 2016 1:10 pm
dszisz@chemaxon.com View latest post
No new posts conformation search
1 joke81 5504 Mon Feb 29, 2016 5:02 pm
dszisz@chemaxon.com View latest post
No new posts cxcalc output comma
9 miguelangelocosta 9035 Thu Feb 11, 2016 1:57 pm
miguelangelocosta View latest post
No new posts How to make image bigger/set image size, using molconvert?
2 anastasia.karchevskaya.14 5365 Wed Feb 03, 2016 3:09 am
AnnaLischen View latest post
No new posts How to add the considertautomerization in logD calculation
2 dahui.liu 5328 Mon Jan 18, 2016 1:57 pm
dszisz@chemaxon.com View latest post
No new posts Problem Generating pKa Training Library
1 c353h783 4519 Wed Jan 06, 2016 11:45 am
dszisz@chemaxon.com View latest post
No new posts cxcalc stereo plugin -vtrue timeout problem
4 henderson.cleaves 4954 Thu Nov 26, 2015 10:24 am
dszisz@chemaxon.com View latest post
No new posts LogP of hydrogen atoms
3 jer2182932 4592 Wed Nov 25, 2015 11:05 am
dszisz@chemaxon.com View latest post
No new posts cxcalc command line
1 jer2182932 3721 Mon Nov 23, 2015 11:33 am
dszisz@chemaxon.com View latest post
No new posts microspecies ratio
3 lorenz.blum 4879 Tue Nov 17, 2015 11:08 am
dszisz@chemaxon.com View latest post
No new posts Calculation of compounds properties for rdf-files.
5 pavel_polishchuk 5079 Tue Nov 10, 2015 10:22 am
dszisz@chemaxon.com View latest post
No new posts Cxcalc LEConformer - ginormous output file size?
3 enrique.frio 4050 Mon Nov 09, 2015 11:26 am
dszisz@chemaxon.com View latest post
No new posts Protonation: pka inconsistency
3 sbeisken 4007 Thu Nov 05, 2015 11:49 am
stephanb View latest post
No new posts Bug with Calculations >> 3D Alignment
2 brownle 4046 Thu Nov 05, 2015 11:01 am
dszisz@chemaxon.com View latest post
No new posts Molar refractivity error/failure
1 u0597274 3893 Thu Nov 05, 2015 10:58 am
dszisz@chemaxon.com View latest post
No new posts Exception in Clean3D. Failed structure [leconformer]
1 enrique.frio 3336 Fri Oct 30, 2015 1:02 pm
dszisz@chemaxon.com View latest post
No new posts Distribution % missing when running cxcalc
9 seth.axen 6431 Mon Oct 26, 2015 2:47 pm
dszisz@chemaxon.com View latest post
No new posts Viewing Structure in Polarization
1 lindalej 3607 Wed Oct 07, 2015 10:11 am
dszisz@chemaxon.com View latest post
No new posts chemterms expression for largest fragment
1 tdudgeon 3612 Mon Sep 21, 2015 1:18 pm
dszisz@chemaxon.com View latest post
No new posts MMPAlignment RMSD
12 swilkens 8778 Thu Sep 10, 2015 4:12 pm
lantal View latest post
No new posts cxtrain command is not working
19 luisa.ciano 10995 Thu Sep 10, 2015 12:47 pm
luisac View latest post
No new posts Normalized ratios of principal moments of inertia
2 swain 3722 Fri Sep 04, 2015 1:53 pm
drc_007 View latest post
No new posts Error: package chemaxon.marvin.calculations
1 hai.ha.thi.do 3470 Thu Aug 27, 2015 11:53 am
lantal View latest post
No new posts batch process major microspecies and export results
5 l.h.hall_enc.edu 4404 Wed Aug 26, 2015 3:56 pm
dszisz@chemaxon.com View latest post
No new posts problems/inconsistancies in major microspecies prediction
2 l.h.hall_enc.edu 3077 Thu Aug 06, 2015 10:40 pm
LH_medchemist View latest post
No new posts Instant JChem pKa predictor
2 lyomo 3240 Wed Aug 05, 2015 4:47 pm
mollylyon View latest post
No new posts Minimal and Maximal Projection Areas to a File
2 ska35 3333 Tue Aug 04, 2015 1:43 pm
ska35 View latest post
No new posts Rotatable bond identification issue
10 simone.baracchi01 21972 Thu Jul 23, 2015 4:14 pm
dszisz@chemaxon.com View latest post
No new posts Question about using HyperChem for structural optimization
1 apple241188 2865 Thu Jul 16, 2015 11:59 am
dszisz@chemaxon.com View latest post
No new posts No license file was found (Problem)
3 thomasmartinez 3100 Mon Jul 06, 2015 10:19 am
dszisz@chemaxon.com View latest post
No new posts H bond energy calculation
1 nabeela.a.sayed 2696 Wed Jul 01, 2015 1:09 pm
dszisz@chemaxon.com View latest post
No new posts logBB in InstantJChem
1 anna 2895 Tue Jun 09, 2015 9:42 am
dszisz@chemaxon.com View latest post
No new posts Predict NMR and depict the spectrum to client's browser
3 ctsun1998 2972 Thu Jun 04, 2015 9:27 am
lantal View latest post
No new posts cxcalc fails at wildcard
1 enpi 2708 Tue Jun 02, 2015 2:44 pm
dszisz@chemaxon.com View latest post
No new posts Avoiding automatic aromatization in version 4.0.3
2 j.jooste 2571 Mon May 18, 2015 12:50 am
JasonJooste View latest post
No new posts ASA P for Peptides
1 ltsilva 2400 Fri May 15, 2015 9:45 am
lantal View latest post
No new posts Literature support for carbanions?
2 jji 3261 Wed May 13, 2015 11:38 pm
Jozsi View latest post
No new posts dreiding energy calculation
11 robert.grossman 12889 Thu May 07, 2015 12:41 pm
dszisz@chemaxon.com View latest post
No new posts Calculate Net Charge with Calculator Plugins
1 rosemarie.oshea 2482 Wed Apr 29, 2015 10:32 am
dszisz@chemaxon.com View latest post
No new posts Doubts on minimisation
1 miguelangelocosta 3178 Mon Apr 27, 2015 9:36 am
dszisz@chemaxon.com View latest post
No new posts pKa value
8 mili_yanamili 28135 Fri Apr 24, 2015 11:48 am
dszisz@chemaxon.com View latest post
No new posts Replicating tautomers generated by version 4.0.3
4 j.jooste 3438 Tue Apr 14, 2015 1:50 am
JasonJooste View latest post
No new posts Cis/Trans conformations generated for amide bonds with cxcal
5 vincent.zoete 3821 Wed Apr 08, 2015 5:16 pm
gimre@chemaxon.com View latest post
No new posts Amide-Imide protonation problem
6 leandro.radusky 3960 Wed Apr 01, 2015 3:16 pm
dszisz@chemaxon.com View latest post
No new posts Stereoisomer Count problem with CXCALC
3 steve.garland 2982 Thu Mar 19, 2015 10:55 am
dszisz@chemaxon.com View latest post
No new posts MSAPlugin 3D cleans an input molecule when run from groovy
3 oleg_milos 3121 Thu Feb 19, 2015 11:07 am
OMilos View latest post
No new posts Calculate energy of a specific, fixed conformer
1 aacev007 2611 Thu Jan 29, 2015 10:39 am
lantal View latest post
No new posts Input .mol files from a directory
1 fe242 2677 Tue Jan 13, 2015 3:12 pm
lantal View latest post
No new posts pkb calculation
5 tanya07-88 6637 Sat Jan 10, 2015 7:15 pm
Jozsi View latest post
No new posts MarvinSketch crashes when performing solubility calculation
4 chawp 3183 Thu Jan 08, 2015 11:17 am
dszisz@chemaxon.com View latest post
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