rwxayheee
commented
4 weeks ago Hi @Kapalisuri
Could you please post your input files? We can check and see if we are able to reproduce it.
The Unable to assign XYZ/HYB type error may be caused by distorted or incomplete structures which made it difficult for prepare_receptor to tell what hybridization state is for the questioned atom.
Also,
-s VAL863_ALA880_GLY993_ASP994
Glycine can't be made as a flexible residue because the sidechain (-H) doesn't have a torsional degree of freedom
/home/arul/Kapali/MDDP/mgltools_x86_64Linux2_1.5.7/bin/pythonsh /home/arul/Kapali/flexible_docking/docking_kinases/prepare_flexreceptor.py -r 3JY9_chainA_ATOM.pdbqt -s VAL863_ALA880_GLY993_ASP994 -g 3JY9_chainA_ATOM_RIGID.pdbqt -x 3JY9_chainA_ATOM_FLEX.pdbqt
I am using this command but getting this error ; Unable to assign XYZ type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign XYZ type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign XYZ type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Unable to assign HYB type to atom N Can you help me resolve above error.