The latest version of AutoDock Vina is 1.1.2, dating from May 11, 2011. Here is the changelog: === 1.1.1 -> 1.1.2: * Bug fix: the affinities reported with flexible side chains were sometimes incorrect. (This problem had no effect on the predicted binding modes or their relative ranking, or on rigid receptor docking) * Bug fix: the individual term values, before weighting, reported only with "score_only", were often wrong. (This problem had no effect on the predicted binding modes or affinities) * The predicted binding modes are made less redundant by requiring that no two reported modes differ by less than 1 Angstrom RMSD(U.B.), counting all movable heavy atoms, including those in the side chains. Previously, Vina avoided this kind of redundancy during the actual docking, but made no such guarantee w.r.t. the output because of the subsequent refinement stage that could move different binding modes closer * Bug fix: in some very unusual cases, numerical rounding errors would accumulate, leading, internally, to a distorted ligand structure. The self-checks in Vina would catch this and make the program quit rather than write invalid output. This numerical error accumulation is believed to have been fixed in this update * A warning is added when the search space is greater than 27000 Angstrom^3 in volume, as confusing Angstroms with "grid points" is a frequent user error === Please add this new version to the tree. Thanks in advance. Reproducible: Always
Next time, please provide Gentoo's canonical category/package atom as it appears in the tree. That saves us a lot of searching among the thousands of packages. Thanks.
Oops! You're right. Sorry for the inconvenience and thanks for the help.
+*autodock_vina-1.1.2 (21 Jan 2012) + + 21 Jan 2012; Justin Lecher <jlec@gentoo.org> +files/1.1.2-gentoo.patch, + +autodock_vina-1.1.2.ebuild, metadata.xml: + Version Bump, #399289 +
