Dear modeller users,

I modified the top.lib to include the information of HYP, and  added the following line in restyp.lib.

HETATM | HYP                 | O |   | HYP  | hydroxyproline

But when I execute the align2d.py, I got the following error message:

Date and time of compilation         : 2014/07/30 10:34:01

MODELLER executable type             : i386-w32

Job starting time (YY/MM/DD HH:MM:SS): 2015/04/27 21:32:10

map_res_217E> Single-character residue type  -

              is not a standard residue type (one

              of the first       21 residues in restyp.lib).

read_re_255E> PDB residue type unrecognized:  BLK

Traceback (most recent call last):

  File "C:\Users\tangm5\Downloads\basic-example\molecule\align2d - Copy.py", line 3, in <module>

    env = environ()

  File "C:\Program Files (x86)\Modeller9.14\modlib\modeller\environ.py", line 45, in __init__

    self.libs = Libraries(self._restyp_lib_file, self._rand_seed)

  File "C:\Program Files (x86)\Modeller9.14\modlib\modeller\libraries.py", line 21, in __init__

    self.__read_libs()

  File "C:\Program Files (x86)\Modeller9.14\modlib\modeller\libraries.py", line 26, in __read_libs

    _modeller.mod_libraries_read_libs(self.modpt, fh.file_pointer)

_modeller.ModellerError: read_re_255E> PDB residue type unrecognized:  BLK

If I only modify the top.lib, it won’t come out this error and can run smoothly.

Could anybody give me any suggestions about what’s wrong with my modification?

Thanks in advance.