Ejemplo n.º 1
0
# along with this program.  If not, see <http://www.gnu.org/licenses/>.       #
#                                                                             #
###############################################################################

# Module docstring.
"""The molmol user function definitions for interacting with Molmol."""

# Python module imports.
from os import sep

# relax module imports.
import colour
from graphics import WIZARD_IMAGE_PATH
from pipe_control import molmol
from specific_analyses.model_free.uf import classic_style_doc
from user_functions.data import Uf_info; uf_info = Uf_info()
from user_functions.objects import Desc_container
from user_functions.wildcards import WILDCARD_MOLMOL_MACRO, WILDCARD_STRUCT_PDB



# The user function class.
uf_class = uf_info.add_class('molmol')
uf_class.title = "Class for interfacing with Molmol."
uf_class.menu_text = "&molmol"
uf_class.gui_icon = "relax.molmol"


# The molmol.clear_history user function.
uf = uf_info.add_uf('molmol.clear_history')
uf.title = "Clear the Molmol command history."
Ejemplo n.º 2
0
# Python module imports.
from os import sep
import dep_check
if dep_check.wx_module:
    from wx import FD_OPEN, FD_SAVE
else:
    FD_OPEN = -1
    FD_SAVE = -1

# relax module imports.
import colour
from graphics import WIZARD_IMAGE_PATH
from pipe_control import pymol_control
from specific_analyses.model_free.uf import classic_style_doc
from user_functions.data import Uf_info
uf_info = Uf_info()
from user_functions.objects import Desc_container
from user_functions.wildcards import WILDCARD_PYMOL_MACRO, WILDCARD_STRUCT_PDB_ALL

# The user function class.
uf_class = uf_info.add_class('pymol')
uf_class.title = "Class for interfacing with PyMOL."
uf_class.menu_text = "&pymol"
uf_class.gui_icon = "relax.pymol_icon"

# The pymol.cartoon user function.
uf = uf_info.add_uf('pymol.cartoon')
uf.title = "Apply the PyMOL cartoon style and colour by secondary structure."
uf.title_short = "PyMOL cartoon style application."
# Description.
uf.desc.append(Desc_container())
Ejemplo n.º 3
0
def initialise():
    """Initialise all of the user function definitions by importing then validating them."""

    # Import all the modules to set up the data.
    import user_functions.align_tensor
    import user_functions.angles
    import user_functions.bmrb
    import user_functions.bruker
    import user_functions.chemical_shift
    import user_functions.consistency_tests
    import user_functions.dasha
    import user_functions.deselect
    import user_functions.diffusion_tensor
    import user_functions.domain
    import user_functions.dx
    import user_functions.eliminate
    import user_functions.error_analysis
    import user_functions.fix
    import user_functions.frame_order
    import user_functions.grace
    import user_functions.interatom
    import user_functions.j_coupling
    import user_functions.jw_mapping
    import user_functions.minimisation
    import user_functions.model_free
    import user_functions.model_selection
    import user_functions.molecule
    import user_functions.molmol
    import user_functions.monte_carlo
    import user_functions.n_state_model
    import user_functions.noe
    import user_functions.palmer
    import user_functions.paramag
    import user_functions.pcs
    import user_functions.pipe
    import user_functions.pymol_control
    import user_functions.rdc
    import user_functions.relax_data
    import user_functions.relax_disp
    import user_functions.relax_fit
    import user_functions.residue
    import user_functions.reset
    import user_functions.results
    import user_functions.script
    import user_functions.select
    import user_functions.sequence
    import user_functions.spectrometer
    import user_functions.spectrum
    import user_functions.spin
    import user_functions.state
    import user_functions.statistics
    import user_functions.structure
    import user_functions.sys_info
    import user_functions.value
    import user_functions.vmd

    # Import the data structure.
    from user_functions.data import Uf_info
    uf_info = Uf_info()

    # Check the validity of the data.
    uf_info.validate()