Dear All,
To remove water of crystallization from pdb files. I removed
following things from pdb file.
REMARK 3 SOLVENT ATOMS : 78
.............................................................
.............................................................
HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51
O
HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19
O
HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15
O
HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64
O
HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97
O
HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08
O
HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71
O
HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39
O
HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96
O
CONECT 48 981
CONECT 238 889
CONECT 513 630
CONECT 601 724
CONECT 630 513
CONECT 724 601
CONECT 889 238
CONECT 981 48
Is this right or I have to delete some other things also.
Thank you
*With Regards,**
*
*
*
*Ravi Kumar Venkatraman,*
*c/o Prof. Siva Umapathy,**
*
*IPC Dept., IISc.,*
*Bangalore, INDIA.*
*Phone No: +91-9686933963*
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