#============================================================* # test domain pca * #============================================================* # open pdb file database open name = neck format = pdb file = ../data/neck_xform.pdb # read molecule molecule read name = m1 database = neck # create some domains #-------------------- #domain create hc = C #domain hc backbone color = [ 1 0 0 ] width = 1 show domain create iq2 = BC[788-814] domain iq2 backbone color = [ 0 1 0 ] width = 1 show # compute pca #------------ domain iq2 pca atom_names = { CA } show = true domain iq2 pca show = true #domain hc pca show = true