From: Cameron M. <cm...@uc...> - 2003-06-25 23:39:23
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Hello, I'm wondering what's the easiest way to extract the number of residues from a PyMOL molecular object?? I need to be able to do this in an automated way for a python script I'm writing. I guess a roundabout way would be to define a selection (say "X_ca") from an object ("X"), and then use something like this to extract the number of atoms in the X_ca object: calphas = cmd.get_model("X_ca"); num_residues = length(calphas.atom); But, this seems unneccesary? I thought I could load in the chempy "models" module and then use its "get_residues()" function, but the command fails as follows: ### models.get_residues("all") PyMOL>models.get_residues("all") Traceback (most recent call last): File "modules/pymol/parser.py", line 251, in parse exec(com2[nest]+"\n",pymol_names,pymol_names) File "<string>", line 1, in ? AttributeError: 'module' object has no attribute 'get_residues' ### So, I'm wondering what I'm missing...is there an easy way to do this? Thanks anyone, Cameron |