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