Molecules (Miskatonic Studio) Mac OS
Indigo 1.1.10¶
Platform Installer, Size, and Checksum Date Notes; Microsoft Windows 64-bit: chimera-1.15-win64.exe Size: 152310162 bytes MD5: 6a68ab59b9ef89f6372cfc.
19 April 2013
Molecules (miskatonic Studio) Mac Os X
This release has two major additions:
We started to support Mono and provide a .NET version that runs onLinux and Mac OS X. This was done with help of developers from RoyalSociety of Chemistry (http://www.rsc.org) who also helped us tolocalize and fix several stability issues in our .NET version.
Indigo now understand aromatic rings with external double bonds suchas O=C1C=CC=CC=C1. To enable this mode you have to set“aromaticity-model” option to “generic” (while default version is“basic”).
Molecules (miskatonic Studio) Mac Os Pro
All changes:
- Intrepid is the first game of Miskatonic Studio. It is a sci-fi escape room. Your task is to leave the spaceship before it explodes, using any items and security codes you can find along the way.
- Although OS X now supports old-fashioned CRT-based stereographics, both native and X11, you need a special (expensive) video-card and an appropriate CRT monitor. I don't have either, so I am hoping someone else will help by making a stereographics on os x page.
Mono support: now we provide .NET modules for Windows, Linux, Mac OSX, and a universal bundle that works on all the specified platforms.Thanks to Dimitry Ivanov for various suggestions:https://groups.google.com/d/msg/indigo-dev/ObLkSecXrOw/g2RGOojqjosJ
Indigo Renderer automatically selects output format based on the fileextension. It is not necessary to specify “render-output-format”option if you are rendering into a file.
Original hydrogens are not folded during molecule transformations.Thanks to Ken for the bug report:https://groups.google.com/d/msg/indigo-bugs/359gCN9OrMg/fKoMt5kS9XcJ
- Either cis/trans bond marked is preserved during molfile loading even if substitutes are collinear.Again thanks to Ken for the suggestion: https://groups.google.com/d/msg/indigo-bugs/oszcYWrwctI/3t2XuonNAaYJ
Indigo Renderer now has additional options for partial image sizespecification. These options are: “render-image-width”,“render-image-height”, “render-image-max-width”,“render-image-max-height”
- Fixed an issue in the SMILES loader module that set invalid number of implicit hydrogens:
Generic aromaticity model that can be enabled by “aromaticity-model”option. Thanks to Daniel for pushing us to implement thisfunctionality.
Another aromaticity option for find any kekulize configuration ifIndigo cannot dearomatize a structure. For example Indigo cannotdearomatize the structure c1ccc2c(ccc2)cc1, because there are nobonds configuration such that the structure is aromatic. But you cantry to find approximate kekulize configuration if you specify option“dearomatize-verification” to “false”.
Indigo now uses dearomatization module to find number of hydrogens inaromatic rings in the IndigoObject.canonicalSmiles() method. Ifhydrogens configuration is ambiguous then Indigo throws an exceptionabout this.
- Additional “unique-dearomatization” option. If this option is set to true Indigo will throw an exception of dearomatization configuration is ambiguous (that means that canonical SMILES cannot be generated):
- IndigoInchi.loadMolecule can now load molecules from InChI Aux infromation.Thanks to Nico: http://tech.knime.org/forum/indigo/inchi-conversion-into-2d-structure#comment-28514
Indigo Renderer doesn’t have a dependency on the new GLIBC any more.This dependency prevented loading of Indigo Renderer on CentOS 5.9and less.
Minor changes in Java and C# bindings: expandAbbreviations method hasbeen add, typo in countDataSGroups has been fixed
- Thanks to Daniel for the feature request:
Fingerprints computation now works 30% faster.
- All stereocenter exceptions now includes also atom index: