mmtbx.command_line.cdl_lookup
index
/net/chevy/raid1/nat/src/cctbx_project/mmtbx/command_line/cdl_lookup.py

 
Modules
       
mmtbx.conformation_dependent_library
libtbx
os
sys

 
Functions
       
run2(args=(), out=<open file '<stdout>', mode 'w'>)
validate_params(params)

 
Data
        cdl_database = {'Gly_nonxpro': {(-180, -180): ['B', 14, 120.86, 1.62, -1, -1, 110.42, 1.49, -1, -1, 121.63, 0.95, 114.72, 1.32, 123.61, 1.16, 1.327, 0.0115, 1.4508, 0.0113, ...], (-180, -170): ['B', 7, 120.56, 1.42, -1, -1, 110.8, 1.41, -1, -1, 121.38, 1.05, 114.98, 1.64, 123.62, 1.15, 1.3269, 0.0101, 1.4489, 0.0121, ...], (-180, -160): ['B', 7, 120.51, 1.22, -1, -1, 111.08, 1.62, -1, -1, 121.08, 1.12, 115.31, 1.79, 123.58, 1.13, 1.326, 0.0105, 1.4483, 0.0135, ...], (-180, -150): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -140): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -130): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -120): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -110): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -100): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], (-180, -90): ['I', 1379, 121.41, 1.96, -1, -1, 113.18, 2.37, -1, -1, 120.57, 1.74, 116.69, 2.04, 122.7, 1.3, 1.3305, 0.0146, 1.4492, 0.0145, ...], ...}, 'Gly_xpro': {(-180, -180): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -170): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -160): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -150): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -140): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -130): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -120): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -110): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -100): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], (-180, -90): ['I', 44, 121.87, 1.57, -1, -1, 112.34, 2.04, -1, -1, 121.52, 1.43, 116.69, 1.71, 121.77, 1.0, 1.3304, 0.0149, 1.4426, 0.0137, ...], ...}, 'IleVal_nonxpro': {(-180, -180): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -170): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -160): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -150): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -140): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -130): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -120): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -110): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -100): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], (-180, -90): ['I', 1822, 121.97, 1.8, 111.23, 1.65, 109.34, 2.08, 111.29, 1.64, 120.78, 1.25, 116.6, 1.45, 122.57, 1.25, 1.3319, 0.0136, 1.459, 0.0125, ...], ...}, 'IleVal_xpro': {(-180, -180): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -170): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -160): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -150): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -140): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -130): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -120): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -110): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -100): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], (-180, -90): ['I', 81, 122.13, 1.85, 111.21, 1.4, 108.88, 2.16, 111.36, 1.82, 119.95, 1.34, 118.88, 1.54, 121.1, 1.14, 1.3292, 0.0113, 1.4612, 0.0123, ...], ...}, 'NonPGIV_nonxpro': {(-180, -180): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -170): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -160): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -150): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -140): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -130): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -120): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -110): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -100): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], (-180, -90): ['I', 10921, 121.54, 1.91, 110.49, 1.69, 110.8, 2.13, 110.42, 1.99, 120.51, 1.43, 116.84, 1.71, 122.59, 1.33, 1.3324, 0.014, 1.4574, 0.0129, ...], ...}, 'NonPGIV_xpro': {(-180, -180): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -170): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -160): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -150): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -140): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -130): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -120): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -110): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -100): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], (-180, -90): ['I', 511, 121.8, 2.44, 110.37, 1.78, 109.81, 2.21, 110.17, 1.97, 120.16, 1.37, 118.44, 1.59, 121.32, 1.15, 1.331, 0.0207, 1.4569, 0.0141, ...], ...}, 'Pro_nonxpro': {(-180, -180): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -170): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -160): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -150): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -140): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -130): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -120): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -110): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -100): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], (-180, -90): ['I', 639, 119.84, 1.25, 103.25, 1.05, 112.47, 2.06, 111.56, 1.65, 120.6, 1.82, 116.7, 2.07, 122.64, 1.35, 1.3339, 0.0234, 1.4687, 0.0128, ...], ...}, 'Pro_xpro': {(-180, -180): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -170): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -160): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -150): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -140): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -130): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -120): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -110): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -100): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], (-180, -90): ['I', 12, 120.38, 1.03, 103.08, 0.97, 110.7, 1.22, 110.92, 1.22, 120.56, 1.45, 117.93, 1.2, 121.46, 1.18, 1.3292, 0.0118, 1.4649, 0.0203, ...], ...}}
division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)
master_phil = <libtbx.phil.scope object>