Application Catalog

ARMS: spatial Alignment with the RMS (Root Mean Square) method.

ARMS performs the optimal RMS superposition of two rigid conformers, provided that the pairwise correspondence is known or implicit.

Category: Life Sciences
Sub Category: Computational Chemistry
Publisher: Michel Petitjean
Date Published: 1999
Version: 1.0
Pricing: License,free
Runtime: $1/CPU-hr.

What is a CPU-hr.?
A CPU-hr. is the aggregate CPU time spent across all machines, rounded up to the nearest hour (e.g., a task running on 1,000 CPUs for one minute = 1,000 CPU minutes or approximately 17 CPU hours, costing you only $17).

Key Features	- Output results include the root mean square between the input pairs, the optimal rotation and translation, the size of the common 3D motif, followed by the recomputed pairwise correspondence between the atoms in the common motif. - The computing time is linearly related to the size of the data.
Description	ARMS reads the Cartesian coordinates of two molecules, then optimally rotates and translates the second molecule onto the first molecule. A pairwise correspondence between two equal length ranges of atoms is input. The maximal common 3D motif is computed after alignment, with the SDM algorithm.
Technical Information	The two input molecules should be combined into a single file prior to execution. The number of atoms is currently limited to 15000 for each molecule. The source has to be recompiled to read larger molecules.
Publisher Information	Michel Petitjean DSV/iBiTec-S/SB2SM (CNRS URA 2096), CEA Saclay, bât. 528 91191 Gif-sur-Yvette Cedex, France.
Pricing and Payment Information	License: Free Order Information
Support:	Email Support

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ARMS: spatial Alignment with the RMS (Root Mean Square) method.

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