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, 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 -", line 3, in <module>

    env = environ()

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

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

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


  File "C:\Program Files (x86)\Modeller9.14\modlib\modeller\", 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.