Cannot find molecule 0 in atomselect's molid
WebUsing the atomselect command Atom selection is the primary method to access information about the atoms in a molecule. It works in two steps. The first step is to create a selection given the selection text, molecule id, and optional frame number. WebMar 9, 2024 · While running the epock vmd gui (1.9.2) the following error occurs when selecting atoms for sphere placement: atomselect: cannot parse selection text: …
Cannot find molecule 0 in atomselect's molid
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Web// here I have 'molid', so get the given molecule Molecule *mol = mlist-> mol_from_id (molid); if (!mol) { Tcl_AppendResult (interp, "Cannot find molecule ", text, NULL); } return mol; } ///// tcl interface to the AtomSel object // forward definitions static int … http://www.theochem.ruhr-uni-bochum.de/~legacy.akohlmey/cpmd-vmd/part4.html
WebAug 18, 2024 · > atomselect molecule_id selection_text [frame frame_number] > Creates a new atom selection and returns its name. > > $roll (with two L) is a molecule ID. It contains an integer such as 0, 1, > 2,... > $rol (with one L) is an atom selection. It contains a name … WebOct 14, 2007 · with VMD main > Mouse > Move > Molecule. Then saved coordinates for the protein as pdb file. 4) Downloaded scripts combine.tcl and top_all27_pro_lipid.inp into the working directory. 5) vmd -dispedev text < combine.tcl tee combine.log reported "top …
WebFeb 21, 2007 · There is no 'top' molecule in atomselect's 'molId' can't read "all": no such variable segid WT1 to WT99 and same residue as abs (z) <10 There is no 'top' molecule in atomselect's 'molId' can't read "sel": no such variable There is no 'top' molecule in atomselect's 'molId' can't read "badwater": no such variable WebApr 11, 2024 · 请教一下各位老师,我想写一个tcl脚本,脚本的内容是,根据氧原子之间的距离,把体系分为多个团簇,在使用VMD的atomselect时遇到了问题,我想在VMD中选中sel组为我体系中的O5,OG311和O3原子;selin组为距离sel组原子距离小于3.5nm的O原 …
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the parkadeWebTo enter query mode, type “0” (that’s a zero) in the display window, or select “Mouse...Query” from the main VMD menu. If you click on an atom, and it appears nothing happens, don’t worry. The information shows up in the terminal window that VMD … shuttle msp to rsthttp://bbs.keinsci.com/thread-21969-1-1.html shuttle muir woodsWebVMD Documentation - visualization.sites.clemson.edu shuttle msp to st cloudWebJun 4, 2003 · there's a much faster way to do it: the "label graph" command. Here's a script that returns the values for all timesteps: proc all_dihed_angle { a1 a2 a3 a4 } { # Delete all existing Dihdral labels so that the one we add has index 0. label delete Dihedrals # Use the top molecule set molid [molinfo top] # Add the dihedral monitor the park agencyWebThe codes (molIDs) are not reused after a molecule is deleted, so if you, for example, have three molecules loaded (numbered 0, 1, 2), delete molecule with molID equal to 0, and then load another molecule, the new molecule will have molID 3. Thus, the list of available … the park accringtonWebUsers Guide - Washington University in St. Louis shuttle msy