The four Function keys on SpaceMouse Pro are assigned automatically to frequently used functions as per your software and you can also program them using the 3DConnexion software. This device is best suitable for 3D cad users who need to navigate in 3D space frequently. You can also get a wired or wireless version of the mice. The battery in the wireless version is inbuilt which can be charged using a micro-USB cable provided with the mouse. Dedicated keys for Pan, Zoom and other functions is an added advantage but too many dedicated keys generally become overkill unless you really like a programmable mouse with lots of dedicated keys. Got to be so one out there knows how to assign keys. Views as from the gui you get some donĪ²€™t work. Press front ok them only press for back view does nothing even though it the edit and assigning keys it says back view, now if I set this to side view it works ? 2) Intelligently automatically update the camera target/orbit&zoom centre to be on the surface of whatever is directly infront of the camera at the start of any move/orbit/zoom command. The issue is around zooming in with the SpaceMouse; when the orbit behaviour was changed to support pivoting around a specific point on a model/space, that also became the cameras target for zooming. As you zoom in, once you reach that point you are unable to zoom any further and the rotation axes seem to flip. Limiting my customization to button 1 and 2 makes it really easy to switch between my travel 3D mouse and my desktop 3D mouse. Panel with buttons that copy symbols to the clipboard. This script will generate a combinatorial library from a specific reaction.
The number of each key's occurrence is written to a user specified CSV file. The option to include the compounds' names. Endpoint values in the CSV file is an option from the opts variable. In MOE molecular databases (.mdb) are no information whether an atom is fixed or not . For every no-optimization flagged atom present in the MOPAC input .dat-file this script looks for an atom of the same element at the same position in the MOE system, and fixes this atom. The profiles allow you to create a series of input files with identical header and footer. E.g. calculation of NMR shieldings for different compounds with identical settings. DOCKTITE is a highly versatile workflow for covalent docking combining automated warhead screening, nucleophilic side chain attachment, pharmacophore-based docking and a novel consensus scoring approach. DOCKTITE is a fast and user friendly method for covalent docking without restrictions upon warhead or receptor classes and is predestined to deal with large-scale virtual screening tasks. 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.
The script now handles graphic objects with a dotted, line and solid surfaces. Fragments molecules by cutting out the scaffold. A adjustable number of adjacent bonds. Will be set to "MOE_ID" and "file" if fields exist with that name. From one or more other databases. Writes the output to a new database. The Grid drop down menu sets the number of molecules depicted; the grid is defined horizontal x vertical. Be selected in the MOE window. Their keys will be returned. Keep track of atom selection sets in an MOE session. Make sure you have enough tokens to run the desired parallel setup. For example, it's necessary to have 3 tokens to run 3 moebatches, or 4 tokens to run one moe and one moebatch. A checklist for
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