Grade2 is a tool for generating restraint dictionaries for ligands in
macromolecular structure determination.
Please see
Introduction to Grade2
,
Grade Web Server Documentation
,
and
Videos showing how to use Grade Web Server
for more information.
Fixed bug where Grade2 terminates with IndexError: string index out of range for large ligands that have more than 26 five-membered or six-membered rings. Thanks to Deepak Deepak for reporting this bug. (#532)
Fixed bug where Grade2 produced SHELXL restraint files with REM comment lines longer than 80 characters that SHELX cannot process. Thanks to Tim Gruene for reporting this bug. (#544)
Grade2 is developed at Global Phasing Ltd. Many thanks to:
Total of 22157 successful Grade and Grade2 runs since February 2012Click to expand
Monthly breakdown:
Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec Σ 2012 7 70 79 105 81 84 43 33 139 73 51 765 2013 91 54 70 53 63 38 69 31 39 61 85 58 712 2014 49 154 48 63 74 83 133 146 91 147 59 92 1139 2015 79 121 73 142 144 122 132 120 95 111 78 83 1300 2016 163 165 106 129 229 118 232 170 139 157 107 134 1849 2017 122 169 168 126 166 201 292 169 159 213 165 128 2078 2018 169 205 248 214 227 323 492 179 185 231 203 208 2884 2019 159 155 349 226 272 150 253 104 162 225 163 182 2400 2020 165 235 215 193 130 148 221 131 195 202 281 200 2316 2021 198 261 219 203 171 210 201 123 151 188 244 283 2452 2022 227 234 225 235 213 189 219 188 195 255 245 370 2795 2023 388 593 486 1467
Please email buster-develop@GlobalPhasing.com with any problems, queries or suggestions.
GWS version: 2.0.6 <2023-01-24>