On 2/21/18 12:34 PM, ZHANG Cheng wrote:
Dear Qinghua, Yes, exactly! But the numbering is: 1-214: first chain 215-442: second chain However, for the secondary structure codes: 214th: "TTSTSSSTSSSTTSTSS~SSSTTTTTTTTSSTTTTTTTTTTTTSTSSSTSTTTTTTTTTTTTTTTTTTTTTTTSTTTTTSTSTTTTTTTTTTTTTTTTTT~SS~SSSTSTTTSSSSSSTTTSSSSSSTSSTTTSTTTTTTTTTTTTTTTTSGSTTSTSTTTTSSSSSSTTTTSSSSTSSTTTTTSTTTTTTTTTTTTSTTSSSSSSTSTTSSSTSSTTSSSSTTTEEBSSESSSSBSSTSSTSEESTSSSSSTSTSTSTTTSSSTTTSTTTTTSTSSTSTTTTTTSSTTTTTTTTSTTTESET~~~SSS~SSS~~S~", 215th: "TTST~~~TSSSTTST~~~~SSTTTTTTTTSSTTTTTTTTTTTTSTSSSTSTTTTTTTTTTTTTTTTTTTTTTTSTTTTTSTSTTTTTTTTTTTTTTTTTT~~SSSS~TSTTTSSSS~STTTSSSSSSTSSTTTSTTTTTTTTTTTTTTTTSGSTTSTSTTTT~~~~~STTTT~SSSTSSTTTTTSTTTTTTTTSTTTSTTSSSSSSTSTTSSSTSSTTSSSSTTTSSSSSSSSSSSSSTSSTSSSSTSSSSSTSTSTSTTTSSSTTTSTTTTTSTSSTSTTTTTTSSTTTTTTTTSTTT~SSS~S~~~~~~~~~~~~", 442th: "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~BBBBB~~BBB~BB~~~~~BBB~B~~~B~~B~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~T~~~~~~~~~~~~~~~~~~~~~B~B~~~~~~B~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~", 443th: "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" Do you think the 443th line is the separator? So ignore the 443th line?
No, the output is in the order of the coordinates: 1-214, chain separator, then 215-442.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
