ChemAxon 7c2d26e5cf
18-10-2004 16:16:09
Some recent changes in Marvin 3.5:
- New graphics objects: arc, arrows, curved electron flow arrows.
- Different reaction arrow types are supported.
- Link nodes are supported.
- Plugins:
- New free plugin: TopologyAnalyserPlugin calculates molecular properties (number of various ring types, rotatable bonds, etc.) from topology.
- Calculation of molecular polarizability is available.
- Improved pKa and logP predictions.
- Import/export: Improvements in the MDL, CML, MRV and SMARTS modules, MdlCompressor (also compresses Rxnfiles) and image export.
Related links
ChemAxon b124dd5f17
17-08-2005 15:12:59
ChemAxon 7c2d26e5cf
12-12-2007 14:40:59
ChemAxon 7c2d26e5cf
10-01-2008 17:26:19
ChemAxon 7c2d26e5cf
29-07-2008 15:25:45
ChemAxon e274e1bada
05-09-2010 21:25:09
ChemAxon e274e1bada
26-11-2010 23:56:51
Marvin 5.4.0 has been released.
For the list of changes please see: http://www.chemaxon.com/marvin/help/developer/changes.html
Download: http://www.chemaxon.com/download/marvin/ />
Important changes: http://www.chemaxon.com/jchem/release_notes.html />
+ Full 64-bit support: Marvin runs on 64-bit platforms together with 64-bit java and 64-bit .NET.
+ Multiple, ordered R-group attachment points: Up to 9 attachment points, the order of the attachment points can be easily changed, and the display follows the IUPAC recommendations.
+ Enhanced 3D transformations: Rotation around specified axes, 3D Plane, mirror, inversion, directed merge of fragments, displaying of degree of rotation.
+ Context based attached data editing: Attach data to bonds, atoms, fragments etc.
+ Customizable dialog with predefined fields and values.
+ PubChem substructure search: Search for the structure on the canvas as substructure in PubChem directly from MarvinSketch.
+ Configurable clipboard handling: Control of file formats available for copy & paste.
+ Fused output option in Markush enumerator: First 100 of enumerated structures are shown as a single fused molecule.
+ New structure checkers introduced: Empty Structure, Metallocene, Covalent Counterion, Ring Strain Error, etc. A new, command line tool is available for batch mode checking.
+ New GUI for training of calculator plugins: Train and run your own molecular property prediction with Predictor plugin.
+ Industry standard MMFF94 forcfield options in Conformer Generator and 3D Molecular Properties.
ChemAxon 7c2d26e5cf
13-02-2011 20:14:55
ChemAxon 7c2d26e5cf
21-07-2011 18:12:54
ChemAxon e07e2a364b
15-09-2011 16:42:30
ChemAxon e07e2a364b
13-10-2011 21:03:06
ChemAxon e07e2a364b
14-11-2011 20:40:05
ChemAxon e07e2a364b
19-12-2011 22:27:31
ChemAxon e07e2a364b
25-01-2012 19:57:17
ChemAxon e07e2a364b
17-04-2012 12:43:50
ChemAxon e07e2a364b
24-04-2012 12:17:19
ChemAxon e07e2a364b
15-05-2012 12:00:50
ChemAxon e07e2a364b
13-06-2012 12:06:23
ChemAxon e07e2a364b
16-07-2012 10:03:20
ChemAxon e07e2a364b
02-08-2012 10:42:08
ChemAxon e07e2a364b
13-09-2012 15:03:27
ChemAxon e07e2a364b
24-09-2012 12:06:19
Marvin 5.11.0 has been released.
For the list of changes please see: http://www.chemaxon.com/marvin/help/developer/changes.html style="line-height: 17px; font-size: 10px;">
Download: http://www.chemaxon.com/download/marvin/ style="font-size: 13px; line-height: 17px;">
Important changes: http://www.chemaxon.com/marvin/release-notes.html style="font-size: 13px; line-height: 17px;">
Important New Features:
- New Structure Checker GUI is available in the Marvin package. Besides the redesigned GUI, new features are also available:
- Profile management;
- Filters in Report view. Documentation
- Improved NMR Prediction: mixed HOSE code/CXN model has been introduced, which results in more accurate NMR shift prediction. C-F and H-F couplings are considered during NMR shift calculation. Diastereotopic protons are also supported in HNMR Prediction.
- New NMR Prediction option: Select tautomers. The tautomers of the predicted molecule are accessible via the Options > Select Tautomers... option of the NMR GUI. The spectra of the selected tautomers with defined percent composition can be added to the predicted spectrum.
- Images can be imported using chemical structure recognition software via a central server. The URL can be set on the "Preferences" dialog or as an import option.
- Molecule and bond properties like SDF fields can be added/edited/deleted in MSketch GUI.
- New display options: lone pairs can be displayed as lines and charge can be displayed in a circle. The options can be set from the "Preferences" dialog.
- Dipole Moment Calculation is a new calculation in Charge plugin group. The dipole moment information is deduced from the molecular geometry and partial charges.
- Multiple name generation tasks can now be run in parallel at full speed to make use of multiple CPUs and cores.
- Peptide 3 letter abbreviations are now recognized in documents, for instance ValGlySerAla or Val-Gly-Ser-Ala.
ChemAxon e07e2a364b
02-10-2012 08:52:02
ChemAxon b62f37c21a
15-10-2012 15:48:29
ChemAxon b62f37c21a
19-10-2012 22:33:49
ChemAxon b62f37c21a
21-11-2012 12:58:01
ChemAxon b62f37c21a
15-01-2013 15:37:12
ChemAxon 0265132c1a
12-03-2013 14:42:17
Marvin 5.12 released - selected new features
- Chinese Name to Structure is now enabled - paste Chinese chemical names onto the canvas to see the structure
- If you have a scanned document, and you want to extract the structures, now you can do it on Mac OS X too
- New structure checkers were added and the integration of external checkers and fixers has become easier.
Release notes - History of changes - Download
ChemAxon b62f37c21a
27-03-2013 19:13:45
ChemAxon b62f37c21a
02-04-2013 11:02:58
ChemAxon b62f37c21a
11-04-2013 15:42:17
ChemAxon b62f37c21a
06-05-2013 20:28:53
ChemAxon 0265132c1a
30-05-2013 11:47:05
- Marvin 6.0 version released
- Refreshed, simplified GUI, new icons in MarvinSketch:
- This means a new Marvin configuration, new icon set, and even the menu items have been rearranged
- Improved drawing quality in MarvinSketch:
- Fitting of single bonds refined, gap at single and double bonds eliminated
- Scaling molecules and bonds on the canvas:
- Bond length and size of objects can be set in MarvinSketch
- MarvinSketch Load/save mechanism renewed:
- New menu option, Insert file, added and Save dialog extended
- Unlimited number of attachment points
- On Superatom S-groups can be handled in MarvinSketch
- Molconvert: structure to CAS number in batch enabled
- Document to Structure: Context of the chemical name can be extracted
- Automapper: faster mapping and less broken C-C bonds
- pKa calculation: log[%] vs. pH distribution chart is introduced
- NMR Predictor: considers novel coupling types and updated training set improved accuracy
Download: http://www.chemaxon.com/download/marvin/
List of Changes: http://www.chemaxon.com/marvin/help/developer/changes.html
ChemAxon b62f37c21a
25-06-2013 08:32:03
ChemAxon ddb9950431
12-08-2013 13:22:13
ChemAxon b62f37c21a
03-09-2013 09:03:26
ChemAxon b62f37c21a
22-10-2013 14:28:09
ChemAxon b62f37c21a
05-11-2013 14:31:22
ChemAxon b62f37c21a
10-12-2013 15:57:35
ChemAxon b62f37c21a
07-01-2014 09:27:16
ChemAxon b62f37c21a
16-01-2014 16:11:20
ChemAxon b62f37c21a
23-01-2014 16:08:27
ChemAxon b62f37c21a
03-03-2014 16:52:03
ChemAxon b62f37c21a
07-04-2014 08:38:36
ChemAxon b62f37c21a
11-04-2014 14:13:13
ChemAxon 0265132c1a
17-06-2014 07:26:14
ChemAxon b62f37c21a
17-06-2014 11:23:14
ChemAxon 0265132c1a
09-07-2014 13:31:09
Marvin 14.7.7 has been released
Dear Marvin users,
This week ChemAxon changed its release practice: from now on we will have a release every week. The version number will be a date stamp - this is the reason we have now the 14.7.7 version number. (Read more about the new release practice in this blog post: http://www.chemaxon.com/blog/some-changes-in-the-way-we-are-releasing-our-software-faster-and-with-a-different-sequence-numbering/)
We want to avoid weekly release notifications, many times including only bug fixes. We know that this amount of email would bother even the most eager Marvin fans. So, the current plan is to gather the most important news, and send you a digest in every 2 months.
In the meantime you can follow the weekly news on the Release notes page, or if you want more depth, on the History of changes page.
MarvinSketch 14.7.7:
- TEXT FORMATTING:
- Text formatting options have been introduced for abbreviated groups and alias atoms.
- NEW HOMOLOGY GROUPS:
- Haloalkyl, Hydroxyalkyl are available.
Text formatting for abbreviated groups
- Progress indicator is shown in case of long calculations via Marvin web services.
- New 2D clean method
Marvin JS 14.7.7:
- NEW OPEN FILE WITH DRAG&DROP:
- Drag your files to the canvas to open them in Marvin JS, or choose them from your file system.
- NEW CUSTOM TEMPLATES:
- Add your own templates from server side.
- NEW R-GROUP DRAWING:
- New, user-friendly R-group drawing tool has been developed – Demo video
- 3D VISUALIZATION:
- Basic 3D options are available such as 3D clean (server side), 3D rotation, fogeffect.
3D features
- New display options: Stick, Ball and Stick, Spacefill options are available.
- New bond properties: Reaction center and bond topology were added to Marvin JS.
Download: http://www.chemaxon.com/download/marvin/
