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My firm switched me to a mobile workstation from a desktop when we went to remote working during the pandemic. Additionally I use a Keychron K8 Wireless Mechanical Keyboard which is the best keyboard I have ever used. It too has excellent battery life and having the custom hard shell carry case also makes ease of use for hybrid work model. Utilities to add hydrogens or delete hydrogens from all or selected molecule fields in a database. This function preprocesses several lists in order to make a valid call to db_ExportASCII. For example, when doing QSAR, one would want to export a specific set of features in a specific order corresponding to a given set of compounds listed in a file. A new MOE database will be created, output.mdb containing all matching compounds. Run this plugin with the MOE File Open panel ("Run SVL"). Select the line type and other attributes, then click on two atoms, and a meter will be drawn. It allows seamless navigation of designs. Access to quick tools. Moving your non-mouse hand off the keyboard. Onto a 3D mouse increases productivity. Runs SiteFinder and outputs the dummy atoms of the active sites into a pdb file. Computes the distance between centroids of sets of atoms. Note that an intermediate MOE database is NOT created in this code. All files in a given directory and its subdirectories are listed, with the full path prepended to each filename. In Windows NT/2K/XP, set it up as a service using the file $MOE/bin-i4w9/rexecd (rexecd -install). Subset Manager is the program for creating the subset of atoms. Changing the atatus of atoms by subset. The "machine.txt" file required by MOE/smp is generated from this selection. This imports an ASCII text file into a new MOE database, calculates the LogP for each record and then writes out another ASCII text file. This utility effectively removes those portions of a molecular surface pocket that obscure the view of the docked ligand. This file will have all of the data from the input database. Change the removeDuplicates option to 1 to enable this.