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=== Functions available in PyMOL === * rotateline(Pos1,Pos2,degangle,molecule): *: "Pos1->Pos2" define a line whereabout "molecule" will be rotated "degangle" degrees *: '''rotateline Pos1=P513C_CA, Pos2=P513C_CB, degangle=5, molecule=Atto590''' *: '''rotateline Pos1=dyeatom87, Pos2=dyeatom85, degangle=10, molecule=Atto590''' * mutate(molecule,chain,resi,target="CYS",mutframe="1"): *: Mutate a /molecule//chain/resi into a target, and selecting most probable frame 1 *: '''mutate 1HP1, chain=A, resi=515, target=CYS, mutframe=1''' * toline(Pos1,Pos2,atom,molecule,dist=1): *: Translate molecule atom, 1 angstrom away in the same direction Pos1->Pos2 specify *: '''toline Pos1=P513C_CA, Pos2=P513C_CB, atom=dyeatom87, molecule=Atto590, dist=3''' '''Available through rotkit.functionname''' * printMat(matrix): *: prints the TTT matrix in a readable format. (4X4) * getxyz(Sel): *: output is a list [x,y,z] in float. The input can be a list, a string(list) or a selection. * vector(Sel1,Sel2): *: Finds the vector between points. Gets the xyz list from getxyz, so input can be anything. * vectorstr(vector): *: turn a vector in list format into string. No real function actually. * transmat(vector,dist=1): *: Makes a TTT translation matrix for according to the input vector. The vector is multiplied with dist. * unitvector(vector): *: Make a vector a unitvector. * radangle(angle): *: Convert degree to radians. Not that all input are assumed to be in degrees, and are converted automatically. * rotmat(angle,vectornorm,pointcoord): *: This function is the most important. That makes the TTT matrix that rotates a molecule around a normalized vector, which goes through a coordinate point. * crossprod(Vector1, Vector2): *: Makes a crossproduct between two vectors * crosspoint(Pos1, crossprod): *: Returns the endpoint for the Position plus the crossproduct vector. Suitable if one would like to rotate around a crossvector. <gallery heights="240px" widths="340px"> Image:Rotkitex1.png|Place your dye how you want. You always get same ending position. Image:Rotkitex2.png|Mutate a residue through command line, and quickly put your dye there. </gallery>
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